N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide

C15H23N3O2 — CID 102961731

IUPACN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2cccc(CN)c2)CCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQELNPSGWNSXNU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide

N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide (PubChem CID 102961731) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
PubChem CID102961731
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2cccc(CN)c2)CCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQELNPSGWNSXNU-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-3-methoxy-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-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide (CID 102961731) is N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide is COC1CN(C(=O)Nc2cccc(CN)c2)CCC1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The InChIKey is WQELNPSGWNSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 102961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).