2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid

C17H23N3O4 — CID 119223360

IUPAC2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H23N3O4/c1-2-14(16(22)23)19-15(21)12-7-6-10-20(11-12)17(24)18-13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,18,24)(H,19,21)(H,22,23)
InChIKeyRVXPHRPHUDTGOW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.91
Rot. Bonds5

About 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid

2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 119223360) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
PubChem CID119223360
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H23N3O4/c1-2-14(16(22)23)19-15(21)12-7-6-10-20(11-12)17(24)18-13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,18,24)(H,19,21)(H,22,23)
InChIKeyRVXPHRPHUDTGOW-UHFFFAOYSA-N
XLogP1.91
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
methyl (2S)-3-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 38031986
methyl (2R)-3-phenyl-2-[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 39995976
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoate
CID 9089794
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid (CID 119223360) is 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid is CCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C(=O)O.
What is the InChIKey of 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is RVXPHRPHUDTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-14(16(22)23)19-15(21)12-7-6-10-20(11-12)17(24)18-13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,18,24)(H,19,21)(H,22,23).
What are the key properties of 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid?
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 333.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119223360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).