2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

C17H29N3O2 — CID 119767012

IUPAC2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H29N3O2/c21-16(12-14-4-2-1-3-5-14)19-8-10-20(11-9-19)17(22)15-6-7-18-13-15/h14-15,18H,1-13H2
InChIKeyRIQSKNBSWVVFMW-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.24
Rot. Bonds3

About 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119767012) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID119767012
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H29N3O2/c21-16(12-14-4-2-1-3-5-14)19-8-10-20(11-9-19)17(22)15-6-7-18-13-15/h14-15,18H,1-13H2
InChIKeyRIQSKNBSWVVFMW-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119282220
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 115276433
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone (CID 119767012) is 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RIQSKNBSWVVFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(12-14-4-2-1-3-5-14)19-8-10-20(11-9-19)17(22)15-6-7-18-13-15/h14-15,18H,1-13H2.
What are the key properties of 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 307.44 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119767012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).