3-[N-(piperidine-3-carbonyl)anilino]propanoic acid

C15H20N2O3 — CID 61160684

IUPAC3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCCNC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)8-10-17(13-6-2-1-3-7-13)15(20)12-5-4-9-16-11-12/h1-3,6-7,12,16H,4-5,8-11H2,(H,18,19)
InChIKeyNSADPTLJAYCFGI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds5

About 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid

3-[N-(piperidine-3-carbonyl)anilino]propanoic acid (PubChem CID 61160684) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
PubChem CID61160684
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CCCNC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)8-10-17(13-6-2-1-3-7-13)15(20)12-5-4-9-16-11-12/h1-3,6-7,12,16H,4-5,8-11H2,(H,18,19)
InChIKeyNSADPTLJAYCFGI-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713

Frequently Asked Questions

What is the IUPAC name of 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid (CID 61160684) is 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid is O=C(O)CCN(C(=O)C1CCCNC1)c1ccccc1.
What is the InChIKey of 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid?
The InChIKey is NSADPTLJAYCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)8-10-17(13-6-2-1-3-7-13)15(20)12-5-4-9-16-11-12/h1-3,6-7,12,16H,4-5,8-11H2,(H,18,19).
What are the key properties of 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid?
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(piperidine-3-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 61160684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).