1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid

C16H20N2O4 — CID 122087292

IUPAC1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(=O)c1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H20N2O4/c1-2-14(19)11-5-3-7-13(9-11)17-16(22)18-8-4-6-12(10-18)15(20)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,17,22)(H,20,21)
InChIKeySVWKCPPEVVTUFG-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.61
Rot. Bonds4

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

1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122087292) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122087292
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(=O)c1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H20N2O4/c1-2-14(19)11-5-3-7-13(9-11)17-16(22)18-8-4-6-12(10-18)15(20)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,17,22)(H,20,21)
InChIKeySVWKCPPEVVTUFG-UHFFFAOYSA-N
XLogP2.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[(3-ethoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076129
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
1-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122088207

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122087292) is 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid is CCC(=O)c1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is SVWKCPPEVVTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-14(19)11-5-3-7-13(9-11)17-16(22)18-8-4-6-12(10-18)15(20)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122087292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).