tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate

C19H26Cl2N2O4 — CID 47089868

IUPACtert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate
SMILESCOc1c(Cl)cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C19H26Cl2N2O4/c1-19(2,3)27-18(25)22-11-12-5-7-23(8-6-12)17(24)13-9-14(20)16(26-4)15(21)10-13/h9-10,12H,5-8,11H2,1-4H3,(H,22,25)
InChIKeyXNPMBOXCUXKTAK-UHFFFAOYSA-N
MW417.33 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate (PubChem CID 47089868) has the molecular formula C19H26Cl2N2O4 and a molecular weight of 417.33 g/mol. Its IUPAC name is tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate
PubChem CID47089868
Molecular FormulaC19H26Cl2N2O4
Molecular Weight417.33 g/mol
Exact Mass416.13
IUPAC Nametert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate
SMILESCOc1c(Cl)cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C19H26Cl2N2O4/c1-19(2,3)27-18(25)22-11-12-5-7-23(8-6-12)17(24)13-9-14(20)16(26-4)15(21)10-13/h9-10,12H,5-8,11H2,1-4H3,(H,22,25)
InChIKeyXNPMBOXCUXKTAK-UHFFFAOYSA-N
XLogP4.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
CID 51219311
tert-butyl N-[3-oxo-3-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919263
tert-butyl N-[[1-(5-bromonaphthalene-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 171396385
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
tert-butyl N-[3-[[1-(3-methoxybenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919237
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
(3,5-dichlorophenyl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 86722673
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 170984745
tert-butyl N-[2-oxo-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]carbamate
CID 108532803
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
tert-butyl N-[3-[[1-(4-bromobenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919241

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate (CID 47089868) is tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate is COc1c(Cl)cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1Cl.
What is the InChIKey of tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is XNPMBOXCUXKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O4/c1-19(2,3)27-18(25)22-11-12-5-7-23(8-6-12)17(24)13-9-14(20)16(26-4)15(21)10-13/h9-10,12H,5-8,11H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 417.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 47089868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).