(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C20H29N3O3 — CID 92729485

IUPAC(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)9-10-21-19(25)17-7-5-11-23(13-17)20(26)16-6-4-8-18(12-16)22-15(3)24/h4,6,8,12,14,17H,5,7,9-11,13H2,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyZKHQKHFSNKQMGH-KRWDZBQOSA-N
MW359.47 g/mol
LogP2.66
Rot. Bonds6

About (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 92729485) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID92729485
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)9-10-21-19(25)17-7-5-11-23(13-17)20(26)16-6-4-8-18(12-16)22-15(3)24/h4,6,8,12,14,17H,5,7,9-11,13H2,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyZKHQKHFSNKQMGH-KRWDZBQOSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
1-[3-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829352
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 92729485) is (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1.
What is the InChIKey of (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is ZKHQKHFSNKQMGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)9-10-21-19(25)17-7-5-11-23(13-17)20(26)16-6-4-8-18(12-16)22-15(3)24/h4,6,8,12,14,17H,5,7,9-11,13H2,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 92729485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).