1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

C14H18N2O3 — CID 16772166

IUPAC1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-4-12(9-10)15-14(19)16-7-5-11(6-8-16)13(17)18/h2-4,9,11H,5-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyBLFBFDFPQYJSBJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds2

About 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 16772166) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID16772166
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C14H18N2O3/c1-10-3-2-4-12(9-10)15-14(19)16-7-5-11(6-8-16)13(17)18/h2-4,9,11H,5-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyBLFBFDFPQYJSBJ-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 16772166) is 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is Cc1cccc(NC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BLFBFDFPQYJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-3-2-4-12(9-10)15-14(19)16-7-5-11(6-8-16)13(17)18/h2-4,9,11H,5-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 16772166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).