tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C98H102ClN11O13S6 — CID 158841261

IUPACtert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)cc2)CC1.CCC(=O)c1cccc2cc(Oc3ccnc(Cl)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)ccc12.S=S=S=S=S=S
InChIInChI=1S/C34H36N4O5.C29H28N4O3.C18H14ClNO2.C17H24N2O3.S6/c1-34(2,3)43-33(41)38-18-15-23(16-19-38)22-8-10-24(11-9-22)31(39)37-30-21-27(14-17-36-30)42-26-12-13-28-25(20-26)6-5-7-29(28)32(40)35-4;1-30-29(35)26-4-2-3-22-17-23(9-10-25(22)26)36-24-13-16-32-27(18-24)33-28(34)21-7-5-19(6-8-21)20-11-14-31-15-12-20;1-2-17(21)16-5-3-4-12-10-13(6-7-15(12)16)22-14-8-9-20-18(19)11-14;1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-4-6-14(7-5-12)15(18)20;1-3-5-6-4-2/h5-14,17,20-21,23H,15-16,18-19H2,1-4H3,(H,35,40)(H,36,37,39);2-10,13,16-18,20,31H,11-12,14-15H2,1H3,(H,30,35)(H,32,33,34);3-11H,2H2,1H3;4-7,13H,8-11H2,1-3H3,(H2,18,20);
InChIKeyIYGUODJPIXEONQ-UHFFFAOYSA-N
MW1869.81 g/mol
LogP20.02
Rot. Bonds18

About tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 158841261) has the molecular formula C98H102ClN11O13S6 and a molecular weight of 1869.81 g/mol. Its IUPAC name is tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID158841261
Molecular FormulaC98H102ClN11O13S6
Molecular Weight1869.81 g/mol
Exact Mass1867.57
IUPAC Nametert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)cc2)CC1.CCC(=O)c1cccc2cc(Oc3ccnc(Cl)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)ccc12.S=S=S=S=S=S
InChIInChI=1S/C34H36N4O5.C29H28N4O3.C18H14ClNO2.C17H24N2O3.S6/c1-34(2,3)43-33(41)38-18-15-23(16-19-38)22-8-10-24(11-9-22)31(39)37-30-21-27(14-17-36-30)42-26-12-13-28-25(20-26)6-5-7-29(28)32(40)35-4;1-30-29(35)26-4-2-3-22-17-23(9-10-25(22)26)36-24-13-16-32-27(18-24)33-28(34)21-7-5-19(6-8-21)20-11-14-31-15-12-20;1-2-17(21)16-5-3-4-12-10-13(6-7-15(12)16)22-14-8-9-20-18(19)11-14;1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-4-6-14(7-5-12)15(18)20;1-3-5-6-4-2/h5-14,17,20-21,23H,15-16,18-19H2,1-4H3,(H,35,40)(H,36,37,39);2-10,13,16-18,20,31H,11-12,14-15H2,1H3,(H,30,35)(H,32,33,34);3-11H,2H2,1H3;4-7,13H,8-11H2,1-3H3,(H2,18,20);
InChIKeyIYGUODJPIXEONQ-UHFFFAOYSA-N
XLogP20.02
TPSA314.03 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001869.81
LogP ≤ 520.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 158841261) is tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)cc2)CC1.CCC(=O)c1cccc2cc(Oc3ccnc(Cl)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)ccc12.S=S=S=S=S=S.
What is the InChIKey of tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is IYGUODJPIXEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O5.C29H28N4O3.C18H14ClNO2.C17H24N2O3.S6/c1-34(2,3)43-33(41)38-18-15-23(16-19-38)22-8-10-24(11-9-22)31(39)37-30-21-27(14-17-36-30)42-26-12-13-28-25(20-26)6-5-7-29(28)32(40)35-4;1-30-29(35)26-4-2-3-22-17-23(9-10-25(22)26)36-24-13-16-32-27(18-24)33-28(34)21-7-5-19(6-8-21)20-11-14-31-15-12-20;1-2-17(21)16-5-3-4-12-10-13(6-7-15(12)16)22-14-8-9-20-18(19)11-14;1-17(2,3)22-16(21)19-10-8-13(9-11-19)12-4-6-14(7-5-12)15(18)20;1-3-5-6-4-2/h5-14,17,20-21,23H,15-16,18-19H2,1-4H3,(H,35,40)(H,36,37,39);2-10,13,16-18,20,31H,11-12,14-15H2,1H3,(H,30,35)(H,32,33,34);3-11H,2H2,1H3;4-7,13H,8-11H2,1-3H3,(H2,18,20);.
What are the key properties of tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1869.81 g/mol, XLogP of 20.02, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate;1-[6-[(2-chloro-4-pyridinyl)oxy]naphthalen-1-yl]propan-1-one;N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 158841261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).