4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

C22H33N3O2 — CID 91913260

IUPAC4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-6-2-5-9-20(17)24-22(27)25-14-11-18(12-15-25)10-13-23-21(26)16-19-7-3-4-8-19/h2,5-6,9,18-19H,3-4,7-8,10-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKKVWOMITDKEJOJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.33
Rot. Bonds6

About 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 91913260) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID91913260
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCNC(=O)CC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-6-2-5-9-20(17)24-22(27)25-14-11-18(12-15-25)10-13-23-21(26)16-19-7-3-4-8-19/h2,5-6,9,18-19H,3-4,7-8,10-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKKVWOMITDKEJOJ-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
4-[2-(methylamino)-2-oxoethyl]-N-(3-methyl-4-pyridinyl)piperidine-1-carboxamide
CID 138042028

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 91913260) is 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(CCNC(=O)CC2CCCC2)CC1.
What is the InChIKey of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is KKVWOMITDKEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-6-2-5-9-20(17)24-22(27)25-14-11-18(12-15-25)10-13-23-21(26)16-19-7-3-4-8-19/h2,5-6,9,18-19H,3-4,7-8,10-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91913260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).