CID 157215192

C254H428B2Cl4N28Na2O50 — CID 157215192

IUPAC—
SMILESC1CN(C2CCOCC2)CCN1.C1CN(CC2CCOCC2)CCN1.CC(=O)CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.CC(=O)OOC(C)=O.CC(=O)OOC(C)=O.CC(=O)[O-].CC(=O)[O-].CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)C.CCC.CN1CCN(C2CCOCC2)CC1.CN1CCN(CC2CCOCC2)CC1.Cl.Cl.Cl.Cl.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCOCC1.OCC1CCOCC1.OCCC1CCNCC1.[B].[B].[Na+].[Na+]
InChIInChI=1S/2C26H41N3O4.2C25H39N3O4.2C23H36N2O4.C17H25NO3.C12H16N2O2.C11H22N2O.2C10H20N2O.C9H18N2O.C7H15NO.C6H12O2.C5H8O2.2C4H6O4.C4H10.C3H8.2C2H4O2.2B.4ClH.2Na/c2*1-26(2,3)33-25(31)27-23(19-21-7-5-4-6-8-21)9-10-24(30)29-15-13-28(14-16-29)20-22-11-17-32-18-12-22;2*1-25(2,3)32-24(30)26-21(19-20-7-5-4-6-8-20)9-10-23(29)28-15-13-27(14-16-28)22-11-17-31-18-12-22;2*1-23(2,3)29-22(28)24-20(17-19-7-5-4-6-8-19)9-10-21(27)25-14-11-18(12-15-25)13-16-26;1-13(19)10-11-15(12-14-8-6-5-7-9-14)18-16(20)21-17(2,3)4;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-12-4-6-13(7-5-12)10-11-2-8-14-9-3-11;1-11-4-6-12(7-5-11)10-2-8-13-9-3-10;1-7-13-8-2-10(1)9-12-5-3-11-4-6-12;1-7-12-8-2-9(1)11-5-3-10-4-6-11;9-6-3-7-1-4-8-5-2-7;7-5-6-1-3-8-4-2-6;6-5-1-3-7-4-2-5;2*1-3(5)7-8-4(2)6;1-4(2)3;1-3-2;2*1-2(3)4;;;;;;;;/h2*4-8,22-23H,9-20H2,1-3H3,(H,27,31);2*4-8,21-22H,9-19H2,1-3H3,(H,26,30);2*4-8,18,20,26H,9-17H2,1-3H3,(H,24,28);5-9,15H,10-12H2,1-4H3,(H,18,20);1-5,13H,6-10H2;11H,2-10H2,1H3;10H,2-9H2,1H3;10-11H,1-9H2;9-10H,1-8H2;7-9H,1-6H2;6-7H,1-5H2;1-4H2;2*1-2H3;4H,1-3H3;3H2,1-2H3;2*1H3,(H,3,4);;;4*1H;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/t2*23-;2*21-;2*20-;15-;;;;;;;;;;;;;;;;;;;;;;/m0000000....................../s1
InChIKeyAUDRJSWLUWKKGZ-NUOKMYRQSA-L
MW4883.78 g/mol
LogP23.35
Rot. Bonds63

About CID 157215192

CID 157215192 (PubChem CID 157215192) has the molecular formula C254H428B2Cl4N28Na2O50 and a molecular weight of 4883.78 g/mol.

Molecular Properties

Compound NameCID 157215192
PubChem CID157215192
Molecular FormulaC254H428B2Cl4N28Na2O50
Molecular Weight4883.78 g/mol
Exact Mass4879.05
IUPAC Name—
SMILESC1CN(C2CCOCC2)CCN1.C1CN(CC2CCOCC2)CCN1.CC(=O)CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.CC(=O)OOC(C)=O.CC(=O)OOC(C)=O.CC(=O)[O-].CC(=O)[O-].CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)C.CCC.CN1CCN(C2CCOCC2)CC1.CN1CCN(CC2CCOCC2)CC1.Cl.Cl.Cl.Cl.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCOCC1.OCC1CCOCC1.OCCC1CCNCC1.[B].[B].[Na+].[Na+]
InChIInChI=1S/2C26H41N3O4.2C25H39N3O4.2C23H36N2O4.C17H25NO3.C12H16N2O2.C11H22N2O.2C10H20N2O.C9H18N2O.C7H15NO.C6H12O2.C5H8O2.2C4H6O4.C4H10.C3H8.2C2H4O2.2B.4ClH.2Na/c2*1-26(2,3)33-25(31)27-23(19-21-7-5-4-6-8-21)9-10-24(30)29-15-13-28(14-16-29)20-22-11-17-32-18-12-22;2*1-25(2,3)32-24(30)26-21(19-20-7-5-4-6-8-20)9-10-23(29)28-15-13-27(14-16-28)22-11-17-31-18-12-22;2*1-23(2,3)29-22(28)24-20(17-19-7-5-4-6-8-19)9-10-21(27)25-14-11-18(12-15-25)13-16-26;1-13(19)10-11-15(12-14-8-6-5-7-9-14)18-16(20)21-17(2,3)4;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-12-4-6-13(7-5-12)10-11-2-8-14-9-3-11;1-11-4-6-12(7-5-11)10-2-8-13-9-3-10;1-7-13-8-2-10(1)9-12-5-3-11-4-6-12;1-7-12-8-2-9(1)11-5-3-10-4-6-11;9-6-3-7-1-4-8-5-2-7;7-5-6-1-3-8-4-2-6;6-5-1-3-7-4-2-5;2*1-3(5)7-8-4(2)6;1-4(2)3;1-3-2;2*1-2(3)4;;;;;;;;/h2*4-8,22-23H,9-20H2,1-3H3,(H,27,31);2*4-8,21-22H,9-19H2,1-3H3,(H,26,30);2*4-8,18,20,26H,9-17H2,1-3H3,(H,24,28);5-9,15H,10-12H2,1-4H3,(H,18,20);1-5,13H,6-10H2;11H,2-10H2,1H3;10H,2-9H2,1H3;10-11H,1-9H2;9-10H,1-8H2;7-9H,1-6H2;6-7H,1-5H2;1-4H2;2*1-2H3;4H,1-3H3;3H2,1-2H3;2*1H3,(H,3,4);;;4*1H;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/t2*23-;2*21-;2*20-;15-;;;;;;;;;;;;;;;;;;;;;;/m0000000....................../s1
InChIKeyAUDRJSWLUWKKGZ-NUOKMYRQSA-L
XLogP23.35
TPSA893.05 Ų
H-Bond Donors15
H-Bond Acceptors64
Rotatable Bonds63
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004883.78
LogP ≤ 523.35
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1064

Analyze CID 157215192 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 163378117
benzyl 4-[1-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-4-yl]piperazine-1-carboxylate
CID 163378131
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]piperazine-1-carboxylate
CID 67447624
tert-butyl N-[(2S)-5-[4-(oxane-4-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamate
CID 58723482
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
tert-butyl N-[5-oxo-1-(4-phenylphenyl)-5-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 126641830
tert-butyl (2S)-2-methyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 175984578
benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 155677833
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid
CID 45073913

Frequently Asked Questions

What is the IUPAC name of CID 157215192?
The IUPAC name of CID 157215192 (CID 157215192) is not available.
What is the SMILES notation for CID 157215192?
The canonical SMILES for CID 157215192 is C1CN(C2CCOCC2)CCN1.C1CN(CC2CCOCC2)CCN1.CC(=O)CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.CC(=O)OOC(C)=O.CC(=O)OOC(C)=O.CC(=O)[O-].CC(=O)[O-].CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CCO)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1.CC(C)C.CCC.CN1CCN(C2CCOCC2)CC1.CN1CCN(CC2CCOCC2)CC1.Cl.Cl.Cl.Cl.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCOCC1.OCC1CCOCC1.OCCC1CCNCC1.[B].[B].[Na+].[Na+].
What is the InChIKey of CID 157215192?
The InChIKey is AUDRJSWLUWKKGZ-NUOKMYRQSA-L. The full InChI is InChI=1S/2C26H41N3O4.2C25H39N3O4.2C23H36N2O4.C17H25NO3.C12H16N2O2.C11H22N2O.2C10H20N2O.C9H18N2O.C7H15NO.C6H12O2.C5H8O2.2C4H6O4.C4H10.C3H8.2C2H4O2.2B.4ClH.2Na/c2*1-26(2,3)33-25(31)27-23(19-21-7-5-4-6-8-21)9-10-24(30)29-15-13-28(14-16-29)20-22-11-17-32-18-12-22;2*1-25(2,3)32-24(30)26-21(19-20-7-5-4-6-8-20)9-10-23(29)28-15-13-27(14-16-28)22-11-17-31-18-12-22;2*1-23(2,3)29-22(28)24-20(17-19-7-5-4-6-8-19)9-10-21(27)25-14-11-18(12-15-25)13-16-26;1-13(19)10-11-15(12-14-8-6-5-7-9-14)18-16(20)21-17(2,3)4;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-12-4-6-13(7-5-12)10-11-2-8-14-9-3-11;1-11-4-6-12(7-5-11)10-2-8-13-9-3-10;1-7-13-8-2-10(1)9-12-5-3-11-4-6-12;1-7-12-8-2-9(1)11-5-3-10-4-6-11;9-6-3-7-1-4-8-5-2-7;7-5-6-1-3-8-4-2-6;6-5-1-3-7-4-2-5;2*1-3(5)7-8-4(2)6;1-4(2)3;1-3-2;2*1-2(3)4;;;;;;;;/h2*4-8,22-23H,9-20H2,1-3H3,(H,27,31);2*4-8,21-22H,9-19H2,1-3H3,(H,26,30);2*4-8,18,20,26H,9-17H2,1-3H3,(H,24,28);5-9,15H,10-12H2,1-4H3,(H,18,20);1-5,13H,6-10H2;11H,2-10H2,1H3;10H,2-9H2,1H3;10-11H,1-9H2;9-10H,1-8H2;7-9H,1-6H2;6-7H,1-5H2;1-4H2;2*1-2H3;4H,1-3H3;3H2,1-2H3;2*1H3,(H,3,4);;;4*1H;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/t2*23-;2*21-;2*20-;15-;;;;;;;;;;;;;;;;;;;;;;/m0000000....................../s1.
What are the key properties of CID 157215192?
CID 157215192 has a molecular weight of 4883.78 g/mol, XLogP of 23.35, 63 rotatable bonds, 15 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157215192 is sourced from PubChem (CID 157215192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).