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

C14H18N2O4 — CID 56878672

IUPAC4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C14H18N2O4/c1-10-2-4-11(5-3-10)15-13(19)16-8-6-14(20,7-9-16)12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVIUMAOMOYYQAU-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.44
Rot. Bonds2

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

4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 56878672) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID56878672
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C14H18N2O4/c1-10-2-4-11(5-3-10)15-13(19)16-8-6-14(20,7-9-16)12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVIUMAOMOYYQAU-UHFFFAOYSA-N
XLogP1.44
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 99797041
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-hydroxy-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 119251096
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 56878672) is 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is Cc1ccc(NC(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is TVIUMAOMOYYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-2-4-11(5-3-10)15-13(19)16-8-6-14(20,7-9-16)12(17)18/h2-5,20H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56878672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).