4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid

C15H18N2O5 — CID 67419609

IUPAC4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid
SMILESNC(=O)c1ccc(CC2(C(=O)O)CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C15H18N2O5/c16-12(18)11-3-1-10(2-4-11)9-15(13(19)20)5-7-17(8-6-15)14(21)22/h1-4H,5-9H2,(H2,16,18)(H,19,20)(H,21,22)
InChIKeyJPOGVOPRHWUBOI-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.17
Rot. Bonds4

About 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid

4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid (PubChem CID 67419609) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid
PubChem CID67419609
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid
SMILESNC(=O)c1ccc(CC2(C(=O)O)CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C15H18N2O5/c16-12(18)11-3-1-10(2-4-11)9-15(13(19)20)5-7-17(8-6-15)14(21)22/h1-4H,5-9H2,(H2,16,18)(H,19,20)(H,21,22)
InChIKeyJPOGVOPRHWUBOI-UHFFFAOYSA-N
XLogP1.17
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67384770
1-[(4-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126776
4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 166757132
1-benzylcyclopropane-1-carboxylic acid
CID 562561
4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 22240872
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745
4-(chloromethyl)piperidine-1,4-dicarboxylic acid
CID 123497269
cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate
CID 174682899
4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 22240981
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid (CID 67419609) is 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid is NC(=O)c1ccc(CC2(C(=O)O)CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid?
The InChIKey is JPOGVOPRHWUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c16-12(18)11-3-1-10(2-4-11)9-15(13(19)20)5-7-17(8-6-15)14(21)22/h1-4H,5-9H2,(H2,16,18)(H,19,20)(H,21,22).
What are the key properties of 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid?
4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 67419609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).