benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid

C36H39N3O3 — CID 69192330

IUPACbenzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
SMILESO=C(NCCCN1CCC(c2cccc(N(Cc3ccccc3)C(=O)O)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39N3O3/c40-35(34(30-14-6-2-7-15-30)31-16-8-3-9-17-31)37-22-11-23-38-24-20-29(21-25-38)32-18-10-19-33(26-32)39(36(41)42)27-28-12-4-1-5-13-28/h1-10,12-19,26,29,34H,11,20-25,27H2,(H,37,40)(H,41,42)
InChIKeySDCRXJMMERHJPI-UHFFFAOYSA-N
MW561.73 g/mol
LogP6.89
Rot. Bonds11

About benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid

benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid (PubChem CID 69192330) has the molecular formula C36H39N3O3 and a molecular weight of 561.73 g/mol. Its IUPAC name is benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
PubChem CID69192330
Molecular FormulaC36H39N3O3
Molecular Weight561.73 g/mol
Exact Mass561.30
IUPAC Namebenzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
SMILESO=C(NCCCN1CCC(c2cccc(N(Cc3ccccc3)C(=O)O)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39N3O3/c40-35(34(30-14-6-2-7-15-30)31-16-8-3-9-17-31)37-22-11-23-38-24-20-29(21-25-38)32-18-10-19-33(26-32)39(36(41)42)27-28-12-4-1-5-13-28/h1-10,12-19,26,29,34H,11,20-25,27H2,(H,37,40)(H,41,42)
InChIKeySDCRXJMMERHJPI-UHFFFAOYSA-N
XLogP6.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
CID 142926195
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 74248989
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
3-[4-(4-benzylpiperidin-1-yl)butylcarbamoyl-methylamino]propanoic acid
CID 122001518

Frequently Asked Questions

What is the IUPAC name of benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid?
The IUPAC name of benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid (CID 69192330) is benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid.
What is the SMILES notation for benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid?
The canonical SMILES for benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid is O=C(NCCCN1CCC(c2cccc(N(Cc3ccccc3)C(=O)O)c2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid?
The InChIKey is SDCRXJMMERHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O3/c40-35(34(30-14-6-2-7-15-30)31-16-8-3-9-17-31)37-22-11-23-38-24-20-29(21-25-38)32-18-10-19-33(26-32)39(36(41)42)27-28-12-4-1-5-13-28/h1-10,12-19,26,29,34H,11,20-25,27H2,(H,37,40)(H,41,42).
What are the key properties of benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid?
benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid has a molecular weight of 561.73 g/mol, XLogP of 6.89, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid is sourced from PubChem (CID 69192330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).