[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone

C17H32N4O — CID 177135013

IUPAC[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1CCC(N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C17H32N4O/c1-15-3-5-16(6-4-15)19-11-13-21(14-12-19)17(22)20-9-7-18(2)8-10-20/h15-16H,3-14H2,1-2H3
InChIKeyCSWMHGNKBDMFFG-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.55
Rot. Bonds1

About [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 177135013) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID177135013
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1CCC(N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C17H32N4O/c1-15-3-5-16(6-4-15)19-11-13-21(14-12-19)17(22)20-9-7-18(2)8-10-20/h15-16H,3-14H2,1-2H3
InChIKeyCSWMHGNKBDMFFG-UHFFFAOYSA-N
XLogP1.55
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone 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

(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
CID 64750444
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
1-[4-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 146290512
2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
CID 119887481
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 177135013) is [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone is CC1CCC(N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CSWMHGNKBDMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-15-3-5-16(6-4-15)19-11-13-21(14-12-19)17(22)20-9-7-18(2)8-10-20/h15-16H,3-14H2,1-2H3.
What are the key properties of [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 308.47 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 177135013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).