(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid

C19H28N2O3 — CID 97203112

IUPAC(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)CC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-14-13-15(7-8-17(14)24-2)18(19(22)23)21-11-9-20(10-12-21)16-5-3-4-6-16/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyFMGOEIHKQSYUIJ-SFHVURJKSA-N
MW332.44 g/mol
LogP2.69
Rot. Bonds5

About (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid

(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid (PubChem CID 97203112) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
PubChem CID97203112
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)CC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-14-13-15(7-8-17(14)24-2)18(19(22)23)21-11-9-20(10-12-21)16-5-3-4-6-16/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyFMGOEIHKQSYUIJ-SFHVURJKSA-N
XLogP2.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxy-3-methylphenyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97208051
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 72934020
(2R)-2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-(3,4-dimethoxyphenyl)acetic acid
CID 97194298
(2S)-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 97201917
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46996116
(2S)-2-(3-fluoro-4-methoxyphenyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97198289
2-(4-fluoro-2-methoxyphenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetic acid
CID 72934013
(2S)-2-(5-fluoro-2-methoxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
CID 97200141
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid?
The IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid (CID 97203112) is (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid?
The canonical SMILES for (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid is COc1ccc([C@@H](C(=O)O)N2CCN(C3CCCC3)CC2)cc1C.
What is the InChIKey of (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid?
The InChIKey is FMGOEIHKQSYUIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-13-15(7-8-17(14)24-2)18(19(22)23)21-11-9-20(10-12-21)16-5-3-4-6-16/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid?
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid has a molecular weight of 332.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 97203112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).