N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide

C23H26N2O3 — CID 4945241

IUPACN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-16-28-19-10-8-18(9-11-19)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h3-11,17H,1,12-16H2,2H3,(H,24,26)
InChIKeyNHVUPQSOEHECMJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 4945241) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
PubChem CID4945241
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-16-28-19-10-8-18(9-11-19)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h3-11,17H,1,12-16H2,2H3,(H,24,26)
InChIKeyNHVUPQSOEHECMJ-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
4-(2-ethoxyethoxy)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17112986
2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide (CID 4945241) is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is NHVUPQSOEHECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-16-28-19-10-8-18(9-11-19)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h3-11,17H,1,12-16H2,2H3,(H,24,26).
What are the key properties of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide?
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 378.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4945241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).