3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid

C16H21N3O4 — CID 122077035

IUPAC3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H21N3O4/c20-14(21)7-8-17-16(23)18-13-6-4-5-12(11-13)15(22)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,20,21)(H2,17,18,23)
InChIKeyHBRFUUWZFLIRPO-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.91
Rot. Bonds5

About 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid

3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122077035) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
PubChem CID122077035
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H21N3O4/c20-14(21)7-8-17-16(23)18-13-6-4-5-12(11-13)15(22)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,20,21)(H2,17,18,23)
InChIKeyHBRFUUWZFLIRPO-UHFFFAOYSA-N
XLogP1.91
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988430
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
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5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
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1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
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N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
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(1S,6R)-6-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080168
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
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4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
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benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
CID 55892585

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid (CID 122077035) is 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is HBRFUUWZFLIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-14(21)7-8-17-16(23)18-13-6-4-5-12(11-13)15(22)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,20,21)(H2,17,18,23).
What are the key properties of 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid?
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 319.36 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 3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122077035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).