N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide

C32H31N3O2 — CID 3443587

IUPACN-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N3O2/c36-31(27-16-14-26(15-17-27)25-12-6-2-7-13-25)34-28-18-19-30(35-20-8-3-9-21-35)29(22-28)32(37)33-23-24-10-4-1-5-11-24/h1-2,4-7,10-19,22H,3,8-9,20-21,23H2,(H,33,37)(H,34,36)
InChIKeyOJUCWBFKUSGCIO-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.53
Rot. Bonds7

About N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide

N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 3443587) has the molecular formula C32H31N3O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID3443587
Molecular FormulaC32H31N3O2
Molecular Weight489.62 g/mol
Exact Mass489.24
IUPAC NameN-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N3O2/c36-31(27-16-14-26(15-17-27)25-12-6-2-7-13-25)34-28-18-19-30(35-20-8-3-9-21-35)29(22-28)32(37)33-23-24-10-4-1-5-11-24/h1-2,4-7,10-19,22H,3,8-9,20-21,23H2,(H,33,37)(H,34,36)
InChIKeyOJUCWBFKUSGCIO-UHFFFAOYSA-N
XLogP6.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.53
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-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 3443587) is N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is OJUCWBFKUSGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2/c36-31(27-16-14-26(15-17-27)25-12-6-2-7-13-25)34-28-18-19-30(35-20-8-3-9-21-35)29(22-28)32(37)33-23-24-10-4-1-5-11-24/h1-2,4-7,10-19,22H,3,8-9,20-21,23H2,(H,33,37)(H,34,36).
What are the key properties of N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 489.62 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3443587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).