3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide

C14H27N3O — CID 3298662

IUPAC3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-9-11-17(12-10-16)15-14(18)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyRKRWDTIQMVMCID-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.63
Rot. Bonds4

About 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide

3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 3298662) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID3298662
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-9-11-17(12-10-16)15-14(18)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18)
InChIKeyRKRWDTIQMVMCID-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide (CID 3298662) is 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is RKRWDTIQMVMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-9-11-17(12-10-16)15-14(18)8-7-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide?
3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3298662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).