(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide

C17H26N2O4 — CID 95279316

IUPAC(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-12-7-5-6-10-19(12)17(20)18-11-13-8-9-14(21-2)16(23-4)15(13)22-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyXTXKGQGEFXMARE-GFCCVEGCSA-N
MW322.41 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide

(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 95279316) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID95279316
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC[C@H]2C)c(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-12-7-5-6-10-19(12)17(20)18-11-13-8-9-14(21-2)16(23-4)15(13)22-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyXTXKGQGEFXMARE-GFCCVEGCSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94049674
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
(3S)-1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125042648
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 126441822
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 9117400

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide (CID 95279316) is (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC[C@H]2C)c(OC)c1OC.
What is the InChIKey of (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is XTXKGQGEFXMARE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-7-5-6-10-19(12)17(20)18-11-13-8-9-14(21-2)16(23-4)15(13)22-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide?
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95279316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).