(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C29H31N3O3 — CID 92729519

IUPAC(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C29H31N3O3/c33-27(30-18-8-12-22-10-3-1-4-11-22)25-16-9-19-32(21-25)29(35)24-15-7-17-26(20-24)31-28(34)23-13-5-2-6-14-23/h1-7,10-11,13-15,17,20,25H,8-9,12,16,18-19,21H2,(H,30,33)(H,31,34)/t25-/m0/s1
InChIKeyWEJZECUFGKZJJC-VWLOTQADSA-N
MW469.59 g/mol
LogP4.54
Rot. Bonds8

About (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 92729519) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID92729519
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C29H31N3O3/c33-27(30-18-8-12-22-10-3-1-4-11-22)25-16-9-19-32(21-25)29(35)24-15-7-17-26(20-24)31-28(34)23-13-5-2-6-14-23/h1-7,10-11,13-15,17,20,25H,8-9,12,16,18-19,21H2,(H,30,33)(H,31,34)/t25-/m0/s1
InChIKeyWEJZECUFGKZJJC-VWLOTQADSA-N
XLogP4.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.54
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

1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 92729519) is (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)c1)c1ccccc1.
What is the InChIKey of (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is WEJZECUFGKZJJC-VWLOTQADSA-N. The full InChI is InChI=1S/C29H31N3O3/c33-27(30-18-8-12-22-10-3-1-4-11-22)25-16-9-19-32(21-25)29(35)24-15-7-17-26(20-24)31-28(34)23-13-5-2-6-14-23/h1-7,10-11,13-15,17,20,25H,8-9,12,16,18-19,21H2,(H,30,33)(H,31,34)/t25-/m0/s1.
What are the key properties of (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92729519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).