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

C18H28N2O3 — CID 95396834

IUPAC(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(C)C2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-4-22-16-9-8-14(11-17(16)23-5-2)12-19-18(21)15-7-6-10-20(3)13-15/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXVWSBZQOIDUUEK-OAHLLOKOSA-N
MW320.43 g/mol
LogP2.44
Rot. Bonds7

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

(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide (PubChem CID 95396834) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
PubChem CID95396834
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(C)C2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-4-22-16-9-8-14(11-17(16)23-5-2)12-19-18(21)15-7-6-10-20(3)13-15/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXVWSBZQOIDUUEK-OAHLLOKOSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100660703
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 99970361
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28550467
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069267
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071109
(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069394
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082756
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide (CID 95396834) is (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide is CCOc1ccc(CNC(=O)[C@@H]2CCCN(C)C2)cc1OCC.
What is the InChIKey of (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is XVWSBZQOIDUUEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-22-16-9-8-14(11-17(16)23-5-2)12-19-18(21)15-7-6-10-20(3)13-15/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide?
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95396834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).