(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone

C20H30N2O2 — CID 17249054

IUPAC(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-16-24-19-10-8-17(9-11-19)20(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyUMSRWHYYFYBSGI-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.57
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone

(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone (PubChem CID 17249054) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
PubChem CID17249054
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-16-24-19-10-8-17(9-11-19)20(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyUMSRWHYYFYBSGI-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
(E)-1-(4-cyclopentylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 55774520
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
oxolan-2-yl-[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807125
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone (CID 17249054) is (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone?
The InChIKey is UMSRWHYYFYBSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-16-24-19-10-8-17(9-11-19)20(23)22-14-12-21(13-15-22)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone?
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone has a molecular weight of 330.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 17249054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).