cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone

C19H26N2O3 — CID 38391613

IUPACcyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)ccc1C
InChIInChI=1S/C19H26N2O3/c1-14-7-8-16(13-17(14)24-2)19(23)21-11-9-20(10-12-21)18(22)15-5-3-4-6-15/h7-8,13,15H,3-6,9-12H2,1-2H3
InChIKeyNFBGSRPOTZMDGD-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds3

About cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone

cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 38391613) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID38391613
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namecyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)ccc1C
InChIInChI=1S/C19H26N2O3/c1-14-7-8-16(13-17(14)24-2)19(23)21-11-9-20(10-12-21)18(22)15-5-3-4-6-15/h7-8,13,15H,3-6,9-12H2,1-2H3
InChIKeyNFBGSRPOTZMDGD-UHFFFAOYSA-N
XLogP2.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120986529
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[4-(4-methoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137338460
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
(3aR,6aR)-2-(cyclobutanecarbonyl)-5-(3-methoxy-4-methylbenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72909597
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone (CID 38391613) is cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)ccc1C.
What is the InChIKey of cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is NFBGSRPOTZMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-7-8-16(13-17(14)24-2)19(23)21-11-9-20(10-12-21)18(22)15-5-3-4-6-15/h7-8,13,15H,3-6,9-12H2,1-2H3.
What are the key properties of cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38391613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).