cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone

C19H28N2O — CID 113073983

IUPACcyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16(17-8-4-2-5-9-17)20-12-14-21(15-13-20)19(22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3
InChIKeyRGEQLWBKKFKDPE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.47
Rot. Bonds3

About cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone

cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 113073983) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
PubChem CID113073983
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Namecyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-16(17-8-4-2-5-9-17)20-12-14-21(15-13-20)19(22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3
InChIKeyRGEQLWBKKFKDPE-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
2-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051055
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone (CID 113073983) is cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone is CC(c1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is RGEQLWBKKFKDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16(17-8-4-2-5-9-17)20-12-14-21(15-13-20)19(22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3.
What are the key properties of cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).