[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate

C14H20N4O3 — CID 150279764

IUPAC[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
SMILESCN1CCCC(NC(=O)c2ccc(N)c(OC(N)=O)c2)C1
InChIInChI=1S/C14H20N4O3/c1-18-6-2-3-10(8-18)17-13(19)9-4-5-11(15)12(7-9)21-14(16)20/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19)
InChIKeyGFIFICWOVYEUTO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.55
Rot. Bonds3

About [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate

[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate (PubChem CID 150279764) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate.

Molecular Properties

Compound Name[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
PubChem CID150279764
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
SMILESCN1CCCC(NC(=O)c2ccc(N)c(OC(N)=O)c2)C1
InChIInChI=1S/C14H20N4O3/c1-18-6-2-3-10(8-18)17-13(19)9-4-5-11(15)12(7-9)21-14(16)20/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19)
InChIKeyGFIFICWOVYEUTO-UHFFFAOYSA-N
XLogP0.55
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate 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

4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate?
The IUPAC name of [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate (CID 150279764) is [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate.
What is the SMILES notation for [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate?
The canonical SMILES for [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate is CN1CCCC(NC(=O)c2ccc(N)c(OC(N)=O)c2)C1.
What is the InChIKey of [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate?
The InChIKey is GFIFICWOVYEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-18-6-2-3-10(8-18)17-13(19)9-4-5-11(15)12(7-9)21-14(16)20/h4-5,7,10H,2-3,6,8,15H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate?
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate has a molecular weight of 292.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate is sourced from PubChem (CID 150279764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).