N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide

C17H31N3O — CID 71024303

IUPACN-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)N(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C17H31N3O/c1-19-13-5-8-16(19)17(21)20(14-6-3-2-4-7-14)15-9-11-18-12-10-15/h14-16,18H,2-13H2,1H3
InChIKeyVKOAFUQOIGCTFK-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.99
Rot. Bonds3

About N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide

N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 71024303) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID71024303
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)N(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C17H31N3O/c1-19-13-5-8-16(19)17(21)20(14-6-3-2-4-7-14)15-9-11-18-12-10-15/h14-16,18H,2-13H2,1H3
InChIKeyVKOAFUQOIGCTFK-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
N-cyclohexyl-2-methoxy-N-piperidin-4-ylacetamide
CID 70252471
1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
CID 67344292
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-methylazepane-2-carbonyl chloride
CID 88548044
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-[(2S)-1-methylpyrrolidin-2-yl]butan-1-one
CID 89049382
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
CID 165457622

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide (CID 71024303) is N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)N(C1CCCCC1)C1CCNCC1.
What is the InChIKey of N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is VKOAFUQOIGCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19-13-5-8-16(19)17(21)20(14-6-3-2-4-7-14)15-9-11-18-12-10-15/h14-16,18H,2-13H2,1H3.
What are the key properties of N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide?
N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71024303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).