2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone

C24H36N2O2 — CID 161431554

IUPAC2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)CC2CCC(N3CCN(CC4CC4)CC3)CC2)ccc1C
InChIInChI=1S/C24H36N2O2/c1-18-3-8-21(16-24(18)28-2)23(27)15-19-6-9-22(10-7-19)26-13-11-25(12-14-26)17-20-4-5-20/h3,8,16,19-20,22H,4-7,9-15,17H2,1-2H3
InChIKeyZPWRPWHVQHJEKS-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.16
Rot. Bonds7

About 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone

2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 161431554) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone
PubChem CID161431554
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)CC2CCC(N3CCN(CC4CC4)CC3)CC2)ccc1C
InChIInChI=1S/C24H36N2O2/c1-18-3-8-21(16-24(18)28-2)23(27)15-19-6-9-22(10-7-19)26-13-11-25(12-14-26)17-20-4-5-20/h3,8,16,19-20,22H,4-7,9-15,17H2,1-2H3
InChIKeyZPWRPWHVQHJEKS-UHFFFAOYSA-N
XLogP4.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone with MolForge

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Related Compounds

2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexan-1-amine;N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxy-4-nitrobenzamide;3-methoxy-4-nitrobenzoic acid;3-methoxy-4-nitrobenzoyl chloride
CID 159935330
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171429564
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 121454280
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
1-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione;hydrochloride
CID 18456324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone (CID 161431554) is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone is COc1cc(C(=O)CC2CCC(N3CCN(CC4CC4)CC3)CC2)ccc1C.
What is the InChIKey of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is ZPWRPWHVQHJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18-3-8-21(16-24(18)28-2)23(27)15-19-6-9-22(10-7-19)26-13-11-25(12-14-26)17-20-4-5-20/h3,8,16,19-20,22H,4-7,9-15,17H2,1-2H3.
What are the key properties of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone?
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 384.56 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-1-(3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 161431554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).