(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid

C19H21ClN2O2 — CID 95502115

IUPAC(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-6-1-4-15(10-17)11-19(18(23)24)7-3-9-22(14-19)13-16-5-2-8-21-12-16/h1-2,4-6,8,10,12H,3,7,9,11,13-14H2,(H,23,24)/t19-/m1/s1
InChIKeySDGDIGGLXBRHFA-LJQANCHMSA-N
MW344.84 g/mol
LogP3.64
Rot. Bonds5

About (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid

(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 95502115) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
PubChem CID95502115
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-6-1-4-15(10-17)11-19(18(23)24)7-3-9-22(14-19)13-16-5-2-8-21-12-16/h1-2,4-6,8,10,12H,3,7,9,11,13-14H2,(H,23,24)/t19-/m1/s1
InChIKeySDGDIGGLXBRHFA-LJQANCHMSA-N
XLogP3.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579692
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
(3S)-3-[(3-chlorophenyl)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 95549895
(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587333
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
(3R)-3-[(3-chlorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95557847
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid (CID 95502115) is (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccnc2)C1.
What is the InChIKey of (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is SDGDIGGLXBRHFA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-6-1-4-15(10-17)11-19(18(23)24)7-3-9-22(14-19)13-16-5-2-8-21-12-16/h1-2,4-6,8,10,12H,3,7,9,11,13-14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid?
(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 344.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95502115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).