(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid

C20H24N2O2 — CID 95545248

IUPAC(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1C[C@]1(C(=O)O)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O2/c1-16-7-2-3-8-17(16)13-20(19(23)24)10-6-12-22(15-20)14-18-9-4-5-11-21-18/h2-5,7-9,11H,6,10,12-15H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyVXKDPLCIDOQQSK-HXUWFJFHSA-N
MW324.42 g/mol
LogP3.30
Rot. Bonds5

About (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid

(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 95545248) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID95545248
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1C[C@]1(C(=O)O)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O2/c1-16-7-2-3-8-17(16)13-20(19(23)24)10-6-12-22(15-20)14-18-9-4-5-11-21-18/h2-5,7-9,11H,6,10,12-15H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyVXKDPLCIDOQQSK-HXUWFJFHSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
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)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231726
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid (CID 95545248) is (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid is Cc1ccccc1C[C@]1(C(=O)O)CCCN(Cc2ccccn2)C1.
What is the InChIKey of (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is VXKDPLCIDOQQSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-7-2-3-8-17(16)13-20(19(23)24)10-6-12-22(15-20)14-18-9-4-5-11-21-18/h2-5,7-9,11H,6,10,12-15H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95545248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).