(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide

C18H23N3O3 — CID 92728970

IUPAC(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C18H23N3O3/c1-3-10-19-17(23)15-5-4-11-21(12-15)18(24)14-6-8-16(9-7-14)20-13(2)22/h3,6-9,15H,1,4-5,10-12H2,2H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyXPHGBTWGGRFEBY-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds5

About (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide

(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 92728970) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID92728970
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C18H23N3O3/c1-3-10-19-17(23)15-5-4-11-21(12-15)18(24)14-6-8-16(9-7-14)20-13(2)22/h3,6-9,15H,1,4-5,10-12H2,2H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyXPHGBTWGGRFEBY-HNNXBMFYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.80
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
1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50827451
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 92728970) is (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is XPHGBTWGGRFEBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-10-19-17(23)15-5-4-11-21(12-15)18(24)14-6-8-16(9-7-14)20-13(2)22/h3,6-9,15H,1,4-5,10-12H2,2H3,(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide?
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 92728970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).