5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid

C17H24N2O3 — CID 122122525

IUPAC5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-3-15(13-7-5-4-6-8-13)18-17(22)19-10-12(2)9-14(11-19)16(20)21/h4-8,12,14-15H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyNUZHCNXDCMSMIT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.89
Rot. Bonds4

About 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122122525) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122122525
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-3-15(13-7-5-4-6-8-13)18-17(22)19-10-12(2)9-14(11-19)16(20)21/h4-8,12,14-15H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyNUZHCNXDCMSMIT-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid (CID 122122525) is 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid is CCC(NC(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is NUZHCNXDCMSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-15(13-7-5-4-6-8-13)18-17(22)19-10-12(2)9-14(11-19)16(20)21/h4-8,12,14-15H,3,9-11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).