N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide

C16H23N3O — CID 110491107

IUPACN-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2(c3ccccc3N)CC2)CC1
InChIInChI=1S/C16H23N3O/c1-12-6-10-19(11-7-12)15(20)18-16(8-9-16)13-4-2-3-5-14(13)17/h2-5,12H,6-11,17H2,1H3,(H,18,20)
InChIKeyGWVHLUDIIUHJND-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.70
Rot. Bonds2

About N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide

N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide (PubChem CID 110491107) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide
PubChem CID110491107
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2(c3ccccc3N)CC2)CC1
InChIInChI=1S/C16H23N3O/c1-12-6-10-19(11-7-12)15(20)18-16(8-9-16)13-4-2-3-5-14(13)17/h2-5,12H,6-11,17H2,1H3,(H,18,20)
InChIKeyGWVHLUDIIUHJND-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide (CID 110491107) is N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2(c3ccccc3N)CC2)CC1.
What is the InChIKey of N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is GWVHLUDIIUHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-6-10-19(11-7-12)15(20)18-16(8-9-16)13-4-2-3-5-14(13)17/h2-5,12H,6-11,17H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide?
N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)cyclopropyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).