2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

C14H27N3O — CID 43423493

IUPAC2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12(14(18)17-10-8-15-9-11-17)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyWNYLUPMUOXXJRD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 43423493) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID43423493
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-12(14(18)17-10-8-15-9-11-17)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyWNYLUPMUOXXJRD-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 79121745
4-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclohexan-1-one
CID 79120030
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-cyclopropyl-2-(dimethylamino)-1-piperazin-1-ylethanone
CID 82508389
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61432130
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (CID 43423493) is 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is WNYLUPMUOXXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(14(18)17-10-8-15-9-11-17)16(2)13-6-4-3-5-7-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43423493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).