4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C19H33N3O2 — CID 91910219

IUPAC4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C19H33N3O2/c1-20-19(24)21-10-7-16(8-11-21)17-9-12-22(14-17)18(23)13-15-5-3-2-4-6-15/h15-17H,2-14H2,1H3,(H,20,24)
InChIKeySCWYXVBLXWGOQI-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.86
Rot. Bonds3

About 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910219) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910219
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C19H33N3O2/c1-20-19(24)21-10-7-16(8-11-21)17-9-12-22(14-17)18(23)13-15-5-3-2-4-6-15/h15-17H,2-14H2,1H3,(H,20,24)
InChIKeySCWYXVBLXWGOQI-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921357
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
2-cyclopentyl-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 100698504
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910219) is 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)CC3CCCCC3)C2)CC1.
What is the InChIKey of 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is SCWYXVBLXWGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-20-19(24)21-10-7-16(8-11-21)17-9-12-22(14-17)18(23)13-15-5-3-2-4-6-15/h15-17H,2-14H2,1H3,(H,20,24).
What are the key properties of 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).