(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide

C16H24N2O3 — CID 95663808

IUPAC(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-4-8-18(11-12)16(19)17-10-13-6-7-14(20-2)9-15(13)21-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyGMFJFGLXXCGTDB-GFCCVEGCSA-N
MW292.38 g/mol
LogP2.65
Rot. Bonds4

About (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide

(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 95663808) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID95663808
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-4-8-18(11-12)16(19)17-10-13-6-7-14(20-2)9-15(13)21-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyGMFJFGLXXCGTDB-GFCCVEGCSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 119071131
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
3-[3-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789015
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
CID 72920063
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
CID 72893356
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111878536
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide (CID 95663808) is (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC[C@@H](C)C2)c(OC)c1.
What is the InChIKey of (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is GMFJFGLXXCGTDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-4-8-18(11-12)16(19)17-10-13-6-7-14(20-2)9-15(13)21-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide?
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 95663808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).