2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide

C16H24N2O2 — CID 106778055

IUPAC2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
SMILESCOc1ccccc1CC1NC(C)CC(C)C1C(N)=O
InChIInChI=1S/C16H24N2O2/c1-10-8-11(2)18-13(15(10)16(17)19)9-12-6-4-5-7-14(12)20-3/h4-7,10-11,13,15,18H,8-9H2,1-3H3,(H2,17,19)
InChIKeyPNNDUBDBMLERTN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide

2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide (PubChem CID 106778055) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
PubChem CID106778055
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
SMILESCOc1ccccc1CC1NC(C)CC(C)C1C(N)=O
InChIInChI=1S/C16H24N2O2/c1-10-8-11(2)18-13(15(10)16(17)19)9-12-6-4-5-7-14(12)20-3/h4-7,10-11,13,15,18H,8-9H2,1-3H3,(H2,17,19)
InChIKeyPNNDUBDBMLERTN-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
CID 106777741
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide
CID 106780274
4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
CID 78777290
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10705020
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
2-[ethyl-[(2-methoxyphenyl)methyl]azaniumyl]acetate
CID 39245629
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
1-(3,5-dimethylpiperazin-1-yl)-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 126783799

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide (CID 106778055) is 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide is COc1ccccc1CC1NC(C)CC(C)C1C(N)=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
The InChIKey is PNNDUBDBMLERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-8-11(2)18-13(15(10)16(17)19)9-12-6-4-5-7-14(12)20-3/h4-7,10-11,13,15,18H,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide?
2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 106778055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).