1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide

C16H24N2O — CID 136534264

IUPAC1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C16H24N2O/c1-3-13-7-4-5-8-14(13)11-18-10-6-9-15(12-18)16(19)17-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3,(H,17,19)
InChIKeyAGBLXMLHAIOKRO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds4

About 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide

1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 136534264) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID136534264
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C16H24N2O/c1-3-13-7-4-5-8-14(13)11-18-10-6-9-15(12-18)16(19)17-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3,(H,17,19)
InChIKeyAGBLXMLHAIOKRO-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 136534264) is 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide is CCc1ccccc1CN1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is AGBLXMLHAIOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-7-4-5-8-14(13)11-18-10-6-9-15(12-18)16(19)17-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3,(H,17,19).
What are the key properties of 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).