N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide

C26H26ClN3O2 — CID 1065996

IUPACN-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C26H26ClN3O2/c27-21-11-7-10-20(16-21)25(31)29-22-12-13-24(30-14-5-2-6-15-30)23(17-22)26(32)28-18-19-8-3-1-4-9-19/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,28,32)(H,29,31)
InChIKeyAQPICQHBVQLKDX-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.51
Rot. Bonds6

About N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide

N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 1065996) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID1065996
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC NameN-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C26H26ClN3O2/c27-21-11-7-10-20(16-21)25(31)29-22-12-13-24(30-14-5-2-6-15-30)23(17-22)26(32)28-18-19-8-3-1-4-9-19/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,28,32)(H,29,31)
InChIKeyAQPICQHBVQLKDX-UHFFFAOYSA-N
XLogP5.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-benzyl-5-[(4-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055057
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(2-chloro-4-nitrobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42756992
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 1065996) is N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is AQPICQHBVQLKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c27-21-11-7-10-20(16-21)25(31)29-22-12-13-24(30-14-5-2-6-15-30)23(17-22)26(32)28-18-19-8-3-1-4-9-19/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,28,32)(H,29,31).
What are the key properties of N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 447.97 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1065996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).