(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

C15H20N2O4 — CID 81120360

IUPAC(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-16(12-5-7-13(21-2)8-6-12)15(20)17-9-3-4-11(10-17)14(18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyKJHVVKBZQWMJHI-LLVKDONJSA-N
MW292.34 g/mol
LogP2.05
Rot. Bonds3

About (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120360) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81120360
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-16(12-5-7-13(21-2)8-6-12)15(20)17-9-3-4-11(10-17)14(18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyKJHVVKBZQWMJHI-LLVKDONJSA-N
XLogP2.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
CID 62003252
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
1-[[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4279687
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120278
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120360) is (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is COc1ccc(N(C)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KJHVVKBZQWMJHI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(12-5-7-13(21-2)8-6-12)15(20)17-9-3-4-11(10-17)14(18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).