1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane

C24H46N4O2 — CID 176683556

IUPAC1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
SMILESCCC.CCC(=O)C1CCC(C(=O)N2CCN(CCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N4O2.C3H8/c1-2-20(26)18-4-6-19(7-5-18)21(27)25-16-14-24(15-17-25)11-3-10-23-12-8-22-9-13-23;1-3-2/h18-19,22H,2-17H2,1H3;3H2,1-2H3
InChIKeyNGNCLNCEUKSUHQ-UHFFFAOYSA-N
MW422.66 g/mol
LogP2.63
Rot. Bonds7

About 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane

1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane (PubChem CID 176683556) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane.

Molecular Properties

Compound Name1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
PubChem CID176683556
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Name1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
SMILESCCC.CCC(=O)C1CCC(C(=O)N2CCN(CCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N4O2.C3H8/c1-2-20(26)18-4-6-19(7-5-18)21(27)25-16-14-24(15-17-25)11-3-10-23-12-8-22-9-13-23;1-3-2/h18-19,22H,2-17H2,1H3;3H2,1-2H3
InChIKeyNGNCLNCEUKSUHQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane 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

cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 169228908
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene
CID 176684153
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane?
The IUPAC name of 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane (CID 176683556) is 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane.
What is the SMILES notation for 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane?
The canonical SMILES for 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane is CCC.CCC(=O)C1CCC(C(=O)N2CCN(CCCN3CCNCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane?
The InChIKey is NGNCLNCEUKSUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2.C3H8/c1-2-20(26)18-4-6-19(7-5-18)21(27)25-16-14-24(15-17-25)11-3-10-23-12-8-22-9-13-23;1-3-2/h18-19,22H,2-17H2,1H3;3H2,1-2H3.
What are the key properties of 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane?
1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane has a molecular weight of 422.66 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane is sourced from PubChem (CID 176683556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).