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

C15H20N2O4 — CID 61029424

IUPAC1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CNC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-4-11(8-13)9-16-15(20)17-7-3-5-12(10-17)14(18)19/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZBIXEMXWCYGEJT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.70
Rot. Bonds4

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

1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 61029424) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID61029424
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CNC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-4-11(8-13)9-16-15(20)17-7-3-5-12(10-17)14(18)19/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZBIXEMXWCYGEJT-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010900
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 61029424) is 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid is COc1cccc(CNC(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZBIXEMXWCYGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-6-2-4-11(8-13)9-16-15(20)17-7-3-5-12(10-17)14(18)19/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).