1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid

C16H22N2O4 — CID 122002158

IUPAC1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CNC(=O)N1CCCC(C(=O)O)C1)Oc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(22-14-7-3-2-4-8-14)10-17-16(21)18-9-5-6-13(11-18)15(19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBEDUIMYLLTXJRI-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid

1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122002158) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122002158
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CNC(=O)N1CCCC(C(=O)O)C1)Oc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(22-14-7-3-2-4-8-14)10-17-16(21)18-9-5-6-13(11-18)15(19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBEDUIMYLLTXJRI-UHFFFAOYSA-N
XLogP1.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid (CID 122002158) is 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid is CC(CNC(=O)N1CCCC(C(=O)O)C1)Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is BEDUIMYLLTXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(22-14-7-3-2-4-8-14)10-17-16(21)18-9-5-6-13(11-18)15(19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).