[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C16H22N2O2 — CID 53016820

IUPAC[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C2(C(=O)N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(19)16(6-7-16)13-4-3-5-14(12-13)20-2/h3-5,12H,6-11H2,1-2H3
InChIKeyROYFMDCYNPFCFG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.50
Rot. Bonds3

About [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53016820) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53016820
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C2(C(=O)N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(19)16(6-7-16)13-4-3-5-14(12-13)20-2/h3-5,12H,6-11H2,1-2H3
InChIKeyROYFMDCYNPFCFG-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 115056085
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 120807295
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55807895

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 53016820) is [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(C2(C(=O)N3CCN(C)CC3)CC2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ROYFMDCYNPFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-8-10-18(11-9-17)15(19)16(6-7-16)13-4-3-5-14(12-13)20-2/h3-5,12H,6-11H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53016820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).