N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide

C14H27N3O — CID 66990087

IUPACN-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
SMILESCC1CCCCC1NC(=O)CCN1CCNCC1
InChIInChI=1S/C14H27N3O/c1-12-4-2-3-5-13(12)16-14(18)6-9-17-10-7-15-8-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyJHCJGFCKFWPXKQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide

N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide (PubChem CID 66990087) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
PubChem CID66990087
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
SMILESCC1CCCCC1NC(=O)CCN1CCNCC1
InChIInChI=1S/C14H27N3O/c1-12-4-2-3-5-13(12)16-14(18)6-9-17-10-7-15-8-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyJHCJGFCKFWPXKQ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 100624051
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
N-cyclohexyl-3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 67762492
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide (CID 66990087) is N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide is CC1CCCCC1NC(=O)CCN1CCNCC1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide?
The InChIKey is JHCJGFCKFWPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-4-2-3-5-13(12)16-14(18)6-9-17-10-7-15-8-11-17/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide?
N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 66990087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).