1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

C20H27N3O3 — CID 50827451

IUPAC1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)CCC)cc2)C1
InChIInChI=1S/C20H27N3O3/c1-3-6-18(24)22-17-10-8-15(9-11-17)20(26)23-13-5-7-16(14-23)19(25)21-12-4-2/h4,8-11,16H,2-3,5-7,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyHFZQTOMCIMELLF-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.58
Rot. Bonds7

About 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 50827451) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID50827451
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)CCC)cc2)C1
InChIInChI=1S/C20H27N3O3/c1-3-6-18(24)22-17-10-8-15(9-11-17)20(26)23-13-5-7-16(14-23)19(25)21-12-4-2/h4,8-11,16H,2-3,5-7,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyHFZQTOMCIMELLF-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92728966
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 50827281
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55951069
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
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (CID 50827451) is 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(C(=O)c2ccc(NC(=O)CCC)cc2)C1.
What is the InChIKey of 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is HFZQTOMCIMELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-6-18(24)22-17-10-8-15(9-11-17)20(26)23-13-5-7-16(14-23)19(25)21-12-4-2/h4,8-11,16H,2-3,5-7,12-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.58, 7 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-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 50827451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).