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

C24H27N3O3 — CID 46387263

IUPAC1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H27N3O3/c1-3-13-25-22(28)19-11-14-27(15-12-19)24(30)20-5-4-6-21(16-20)26-23(29)18-9-7-17(2)8-10-18/h3-10,16,19H,1,11-15H2,2H3,(H,25,28)(H,26,29)
InChIKeyXYGPOOLFFINWCA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.40
Rot. Bonds6

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

1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 46387263) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID46387263
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H27N3O3/c1-3-13-25-22(28)19-11-14-27(15-12-19)24(30)20-5-4-6-21(16-20)26-23(29)18-9-7-17(2)8-10-18/h3-10,16,19H,1,11-15H2,2H3,(H,25,28)(H,26,29)
InChIKeyXYGPOOLFFINWCA-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.40
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-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 113002623
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-prop-2-enylthiourea
CID 28637708
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383
4-methyl-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 2301934
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide (CID 46387263) is 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1.
What is the InChIKey of 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is XYGPOOLFFINWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-13-25-22(28)19-11-14-27(15-12-19)24(30)20-5-4-6-21(16-20)26-23(29)18-9-7-17(2)8-10-18/h3-10,16,19H,1,11-15H2,2H3,(H,25,28)(H,26,29).
What are the key properties of 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide?
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 46387263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).