(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid

C18H20N2O2 — CID 95851404

IUPAC(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCNC1
InChIInChI=1S/C18H20N2O2/c21-17(22)18(7-2-8-20-13-18)12-14-3-1-4-16(11-14)15-5-9-19-10-6-15/h1,3-6,9-11,20H,2,7-8,12-13H2,(H,21,22)/t18-/m1/s1
InChIKeyZWCLBJRNCLDRCN-GOSISDBHSA-N
MW296.37 g/mol
LogP2.75
Rot. Bonds4

About (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid

(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 95851404) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID95851404
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCNC1
InChIInChI=1S/C18H20N2O2/c21-17(22)18(7-2-8-20-13-18)12-14-3-1-4-16(11-14)15-5-9-19-10-6-15/h1,3-6,9-11,20H,2,7-8,12-13H2,(H,21,22)/t18-/m1/s1
InChIKeyZWCLBJRNCLDRCN-GOSISDBHSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 124942719
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 79425404
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643
N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid (CID 95851404) is (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCNC1.
What is the InChIKey of (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ZWCLBJRNCLDRCN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(22)18(7-2-8-20-13-18)12-14-3-1-4-16(11-14)15-5-9-19-10-6-15/h1,3-6,9-11,20H,2,7-8,12-13H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 95851404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).