(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid

C19H25NO4 — CID 119174323

IUPAC(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)N3CCC[C@H](C(=O)O)C3)CCCC2)c1
InChIInChI=1S/C19H25NO4/c1-24-16-8-4-7-15(12-16)19(9-2-3-10-19)18(23)20-11-5-6-14(13-20)17(21)22/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyOLZOFSMZYHXZKG-AWEZNQCLSA-N
MW331.41 g/mol
LogP2.83
Rot. Bonds4

About (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid

(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 119174323) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
PubChem CID119174323
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)N3CCC[C@H](C(=O)O)C3)CCCC2)c1
InChIInChI=1S/C19H25NO4/c1-24-16-8-4-7-15(12-16)19(9-2-3-10-19)18(23)20-11-5-6-14(13-20)17(21)22/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyOLZOFSMZYHXZKG-AWEZNQCLSA-N
XLogP2.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978354
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid (CID 119174323) is (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid is COc1cccc(C2(C(=O)N3CCC[C@H](C(=O)O)C3)CCCC2)c1.
What is the InChIKey of (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is OLZOFSMZYHXZKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25NO4/c1-24-16-8-4-7-15(12-16)19(9-2-3-10-19)18(23)20-11-5-6-14(13-20)17(21)22/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid?
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119174323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).