(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid

C18H23NO4 — CID 99639499

IUPAC(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H23NO4/c20-17(19-11-4-3-10-16(19)18(21)22)13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H,21,22)/t16-/m1/s1
InChIKeyAEWRHKFOQKZUHB-MRXNPFEDSA-N
MW317.38 g/mol
LogP3.09
Rot. Bonds4

About (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid

(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 99639499) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
PubChem CID99639499
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H23NO4/c20-17(19-11-4-3-10-16(19)18(21)22)13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H,21,22)/t16-/m1/s1
InChIKeyAEWRHKFOQKZUHB-MRXNPFEDSA-N
XLogP3.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid (CID 99639499) is (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is AEWRHKFOQKZUHB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(19-11-4-3-10-16(19)18(21)22)13-6-5-9-15(12-13)23-14-7-1-2-8-14/h5-6,9,12,14,16H,1-4,7-8,10-11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 99639499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).