[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone

C26H44N4O2 — CID 112815528

IUPAC[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C26H44N4O2/c31-25(29-17-13-27(14-18-29)23-5-1-2-6-23)21-9-11-22(12-10-21)26(32)30-19-15-28(16-20-30)24-7-3-4-8-24/h21-24H,1-20H2
InChIKeyKGZOBMLJUXYFEL-UHFFFAOYSA-N
MW444.66 g/mol
LogP2.97
Rot. Bonds4

About [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone

[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 112815528) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID112815528
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C26H44N4O2/c31-25(29-17-13-27(14-18-29)23-5-1-2-6-23)21-9-11-22(12-10-21)26(32)30-19-15-28(16-20-30)24-7-3-4-8-24/h21-24H,1-20H2
InChIKeyKGZOBMLJUXYFEL-UHFFFAOYSA-N
XLogP2.97
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 136515729
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 143899480
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
CID 126853096
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 112815528) is [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone is O=C(C1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is KGZOBMLJUXYFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O2/c31-25(29-17-13-27(14-18-29)23-5-1-2-6-23)21-9-11-22(12-10-21)26(32)30-19-15-28(16-20-30)24-7-3-4-8-24/h21-24H,1-20H2.
What are the key properties of [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone?
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 444.66 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 112815528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).