4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid

C15H20N2O3 — CID 61161224

IUPAC4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(12-6-8-16-9-7-12)17-10-5-11-1-3-13(4-2-11)15(19)20/h1-4,12,16H,5-10H2,(H,17,18)(H,19,20)
InChIKeyNTQLEAYXBYRHPP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.04
Rot. Bonds5

About 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid

4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid (PubChem CID 61161224) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
PubChem CID61161224
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-14(12-6-8-16-9-7-12)17-10-5-11-1-3-13(4-2-11)15(19)20/h1-4,12,16H,5-10H2,(H,17,18)(H,19,20)
InChIKeyNTQLEAYXBYRHPP-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
CID 119168864
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid (CID 61161224) is 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)C2CCNCC2)cc1.
What is the InChIKey of 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid?
The InChIKey is NTQLEAYXBYRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(12-6-8-16-9-7-12)17-10-5-11-1-3-13(4-2-11)15(19)20/h1-4,12,16H,5-10H2,(H,17,18)(H,19,20).
What are the key properties of 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid?
4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 61161224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).