N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide

C16H31N3O — CID 80548878

IUPACN,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3O/c1-13-7-5-6-8-14(13)18(4)15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,5-12H2,1-4H3
InChIKeyXTZRMDGVEICSCM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds3

About N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide

N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide (PubChem CID 80548878) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide
PubChem CID80548878
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3O/c1-13-7-5-6-8-14(13)18(4)15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,5-12H2,1-4H3
InChIKeyXTZRMDGVEICSCM-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide (CID 80548878) is N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide is CC1CCCCC1N(C)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide?
The InChIKey is XTZRMDGVEICSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-7-5-6-8-14(13)18(4)15(20)16(2,3)19-11-9-17-10-12-19/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide?
N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).