1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide

C20H29N3O3 — CID 50827281

IUPAC1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NC(C)C)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-4-6-18(24)22-17-10-8-15(9-11-17)20(26)23-12-5-7-16(13-23)19(25)21-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyALRCXMZRSNWBSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds6

About 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide

1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 50827281) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID50827281
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NC(C)C)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-4-6-18(24)22-17-10-8-15(9-11-17)20(26)23-12-5-7-16(13-23)19(25)21-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyALRCXMZRSNWBSI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50827451
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92728966
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55951069
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 50827281) is 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide is CCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)NC(C)C)C2)cc1.
What is the InChIKey of 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ALRCXMZRSNWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-6-18(24)22-17-10-8-15(9-11-17)20(26)23-12-5-7-16(13-23)19(25)21-14(2)3/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide?
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 50827281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).