N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide

C14H27N3O — CID 140577346

IUPACN-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
SMILESCC(=O)N(C)[C@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O/c1-12(18)16(3)13-5-4-6-14(11-13)17-9-7-15(2)8-10-17/h13-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyRFXHVJLXFAVNOP-UONOGXRCSA-N
MW253.39 g/mol
LogP1.02
Rot. Bonds2

About N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide

N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide (PubChem CID 140577346) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
PubChem CID140577346
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
SMILESCC(=O)N(C)[C@H]1CCC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3O/c1-12(18)16(3)13-5-4-6-14(11-13)17-9-7-15(2)8-10-17/h13-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyRFXHVJLXFAVNOP-UONOGXRCSA-N
XLogP1.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide 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-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide?
The IUPAC name of N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide (CID 140577346) is N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide is CC(=O)N(C)[C@H]1CCC[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide?
The InChIKey is RFXHVJLXFAVNOP-UONOGXRCSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(18)16(3)13-5-4-6-14(11-13)17-9-7-15(2)8-10-17/h13-14H,4-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide?
N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 140577346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).