1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 61204446

IUPAC1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CNC(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-6-12(9-11)10-16-15(20)17-8-3-2-7-13(17)14(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQIAAIUSORZERHA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.14
Rot. Bonds3

About 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid

1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 61204446) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID61204446
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CNC(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-6-12(9-11)10-16-15(20)17-8-3-2-7-13(17)14(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQIAAIUSORZERHA-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
(2S)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54595787
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2R)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922791
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
(2R)-1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923149
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64563323
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 61204446) is 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid is Cc1cccc(CNC(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is QIAAIUSORZERHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-4-6-12(9-11)10-16-15(20)17-8-3-2-7-13(17)14(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61204446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).