3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid

C15H21N3O3 — CID 63793349

IUPAC3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
SMILESNC1CCN(C(=O)NCCc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O3/c16-13-5-8-18(9-6-13)15(21)17-7-4-11-2-1-3-12(10-11)14(19)20/h1-3,10,13H,4-9,16H2,(H,17,21)(H,19,20)
InChIKeyWIUPACVMPMXVSB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.06
Rot. Bonds4

About 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid

3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid (PubChem CID 63793349) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
PubChem CID63793349
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
SMILESNC1CCN(C(=O)NCCc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O3/c16-13-5-8-18(9-6-13)15(21)17-7-4-11-2-1-3-12(10-11)14(19)20/h1-3,10,13H,4-9,16H2,(H,17,21)(H,19,20)
InChIKeyWIUPACVMPMXVSB-UHFFFAOYSA-N
XLogP1.06
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(4-methylpiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63795102
3-[2-(1,4-thiazepane-4-carbonylamino)ethyl]benzoic acid
CID 63793523
3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
CID 63793330
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
CID 63793901
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 108901581
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
3-[2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]benzoic acid
CID 124556787
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[[(3S)-oxane-3-carbonyl]amino]ethyl]benzoic acid
CID 129379154

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid (CID 63793349) is 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid is NC1CCN(C(=O)NCCc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is WIUPACVMPMXVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-13-5-8-18(9-6-13)15(21)17-7-4-11-2-1-3-12(10-11)14(19)20/h1-3,10,13H,4-9,16H2,(H,17,21)(H,19,20).
What are the key properties of 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63793349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).