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

C19H25N3O3 — CID 92728966

IUPAC(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1
InChIInChI=1S/C19H25N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyZVOHPWIXDGXQTB-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.19
Rot. Bonds6

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

(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 92728966) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID92728966
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1
InChIInChI=1S/C19H25N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyZVOHPWIXDGXQTB-HNNXBMFYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.19
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

1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50827451
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
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
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 50827281
(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
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide (CID 92728966) is (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1.
What is the InChIKey of (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is ZVOHPWIXDGXQTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide?
(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 92728966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).