1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide

C16H25N3O — CID 103194646

IUPAC1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-3-6-13(9-12)15(10-17)19-8-4-7-14(11-19)16(20)18-2/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyGGPJFLFXVQXNCJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide

1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194646) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194646
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-3-6-13(9-12)15(10-17)19-8-4-7-14(11-19)16(20)18-2/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyGGPJFLFXVQXNCJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 30734721
tert-butyl N-[1-[2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 44890970
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 103194646) is 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(CN)c2cccc(C)c2)C1.
What is the InChIKey of 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GGPJFLFXVQXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-3-6-13(9-12)15(10-17)19-8-4-7-14(11-19)16(20)18-2/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).