(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid

C15H18N2O4 — CID 28512783

IUPAC(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-4-2-6-13(8-11)16-15(21)17-7-3-5-12(9-17)14(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyMJZUSDHJQNJOEC-GFCCVEGCSA-N
MW290.32 g/mol
LogP2.22
Rot. Bonds3

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

(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 28512783) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID28512783
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-4-2-6-13(8-11)16-15(21)17-7-3-5-12(9-17)14(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyMJZUSDHJQNJOEC-GFCCVEGCSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292
1-[(3-ethoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076129
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(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-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 28512783) is (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid is CC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MJZUSDHJQNJOEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)11-4-2-6-13(8-11)16-15(21)17-7-3-5-12(9-17)14(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 28512783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).