1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid

C17H22N2O3 — CID 117487174

IUPAC1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCN(c2ccccc2C2(C(=O)O)CCCC2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-18-10-11-19(12-15(18)20)14-7-3-2-6-13(14)17(16(21)22)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,22)
InChIKeyHYWWRNVAXAFQFM-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid

1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117487174) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117487174
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCN(c2ccccc2C2(C(=O)O)CCCC2)CC1=O
InChIInChI=1S/C17H22N2O3/c1-18-10-11-19(12-15(18)20)14-7-3-2-6-13(14)17(16(21)22)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,22)
InChIKeyHYWWRNVAXAFQFM-UHFFFAOYSA-N
XLogP1.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117433485
1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117461839
methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate
CID 117446001
3-cyclopropyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117487191
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
4-amino-3-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 82795949
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
4-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694972
5-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694563
1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463982

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117487174) is 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid is CN1CCN(c2ccccc2C2(C(=O)O)CCCC2)CC1=O.
What is the InChIKey of 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is HYWWRNVAXAFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-10-11-19(12-15(18)20)14-7-3-2-6-13(14)17(16(21)22)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,22).
What are the key properties of 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117487174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).