2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone

C19H32N2O3 — CID 111537735

IUPAC2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C19H32N2O3/c22-17(14-16-6-2-1-3-7-16)20-10-12-21(13-11-20)18(23)15-19(24)8-4-5-9-19/h16,24H,1-15H2
InChIKeyMCMQINIAEQIHLO-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.32
Rot. Bonds4

About 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone (PubChem CID 111537735) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
PubChem CID111537735
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C19H32N2O3/c22-17(14-16-6-2-1-3-7-16)20-10-12-21(13-11-20)18(23)15-19(24)8-4-5-9-19/h16,24H,1-15H2
InChIKeyMCMQINIAEQIHLO-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Hydroxycyclohexyl)-1-piperidin-1-ylethanone
CID 71931224
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 102557187
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 111332025
3,3,3-Trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one
CID 111432557
(2R)-3-cyclohexyl-1-(4-hydroxy-4-propylpiperidin-1-yl)-2-methylpropan-1-one
CID 175166550
3-Cyclohexyl-1-(4-hydroxy-4-propylpiperidin-1-yl)-2-methylpropan-1-one
CID 175166551
2-Cyclopentyl-1-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethanone
CID 71885936
2-(1-Hydroxycyclohexyl)-1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone
CID 71984201
2-(1-Hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 71984255
2-(1-Hydroxycyclopentyl)-1-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 71984457
3-Cyclopentyl-1-[4-(3-hydroxy-3-methylbutyl)piperazin-1-yl]propan-1-one
CID 72111176
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 72131598

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone (CID 111537735) is 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is MCMQINIAEQIHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-17(14-16-6-2-1-3-7-16)20-10-12-21(13-11-20)18(23)15-19(24)8-4-5-9-19/h16,24H,1-15H2.
What are the key properties of 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 111537735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).