[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid

C13H17N3O3 — CID 170325086

IUPAC[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C13H17N3O3/c14-11-4-2-1-3-10(11)12(17)16-7-5-9(6-8-16)15-13(18)19/h1-4,9,15H,5-8,14H2,(H,18,19)
InChIKeyFXHYMPTUAZIVSK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.14
Rot. Bonds2

About [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid

[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid (PubChem CID 170325086) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
PubChem CID170325086
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C13H17N3O3/c14-11-4-2-1-3-10(11)12(17)16-7-5-9(6-8-16)15-13(18)19/h1-4,9,15H,5-8,14H2,(H,18,19)
InChIKeyFXHYMPTUAZIVSK-UHFFFAOYSA-N
XLogP1.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-(2-aminobenzoyl)piperidin-4-yl]carbamic 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

N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid (CID 170325086) is [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid is Nc1ccccc1C(=O)N1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid?
The InChIKey is FXHYMPTUAZIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-11-4-2-1-3-10(11)12(17)16-7-5-9(6-8-16)15-13(18)19/h1-4,9,15H,5-8,14H2,(H,18,19).
What are the key properties of [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid?
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid has a molecular weight of 263.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 170325086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).