N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide

C17H31N3O — CID 58477550

IUPACN-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide
SMILESCC1CC(NC(=O)C2CCCC2)CCC1N1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13-12-15(19-17(21)14-4-2-3-5-14)6-7-16(13)20-10-8-18-9-11-20/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyWGKKRZGKECTDAR-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.76
Rot. Bonds3

About N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide

N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide (PubChem CID 58477550) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide
PubChem CID58477550
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide
SMILESCC1CC(NC(=O)C2CCCC2)CCC1N1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13-12-15(19-17(21)14-4-2-3-5-14)6-7-16(13)20-10-8-18-9-11-20/h13-16,18H,2-12H2,1H3,(H,19,21)
InChIKeyWGKKRZGKECTDAR-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide
CID 58477543
N-piperidin-4-ylcycloheptanecarboxamide
CID 62587546
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide (CID 58477550) is N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide is CC1CC(NC(=O)C2CCCC2)CCC1N1CCNCC1.
What is the InChIKey of N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide?
The InChIKey is WGKKRZGKECTDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-12-15(19-17(21)14-4-2-3-5-14)6-7-16(13)20-10-8-18-9-11-20/h13-16,18H,2-12H2,1H3,(H,19,21).
What are the key properties of N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide?
N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide has a molecular weight of 293.46 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-piperazin-1-ylcyclohexyl)cyclopentanecarboxamide is sourced from PubChem (CID 58477550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).