N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide

C23H29N3O2 — CID 52998819

IUPACN-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-8-10-21(11-9-17)25-23(28)26-14-12-19(13-15-26)16-22(27)24-18(2)20-6-4-3-5-7-20/h3-11,18-19H,12-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBXHSFOVVPDFDDI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.51
Rot. Bonds5

About N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide

N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide (PubChem CID 52998819) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
PubChem CID52998819
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-8-10-21(11-9-17)25-23(28)26-14-12-19(13-15-26)16-22(27)24-18(2)20-6-4-3-5-7-20/h3-11,18-19H,12-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBXHSFOVVPDFDDI-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330820
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 93071884
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92633969
N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
CID 52998822
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide (CID 52998819) is N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CC(=O)NC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is BXHSFOVVPDFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-10-21(11-9-17)25-23(28)26-14-12-19(13-15-26)16-22(27)24-18(2)20-6-4-3-5-7-20/h3-11,18-19H,12-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 52998819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).