N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide

C17H26N2O3 — CID 95214625

IUPACN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
SMILESCCN1CCC[C@H](CNC(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O3/c1-4-19-9-5-6-13(12-19)11-18-17(20)14-7-8-15(21-2)16(10-14)22-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyIOYKDRPQUVUOCA-CYBMUJFWSA-N
MW306.41 g/mol
LogP2.17
Rot. Bonds6

About N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide

N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 95214625) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID95214625
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
SMILESCCN1CCC[C@H](CNC(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O3/c1-4-19-9-5-6-13(12-19)11-18-17(20)14-7-8-15(21-2)16(10-14)22-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyIOYKDRPQUVUOCA-CYBMUJFWSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide (CID 95214625) is N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide is CCN1CCC[C@H](CNC(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is IOYKDRPQUVUOCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-19-9-5-6-13(12-19)11-18-17(20)14-7-8-15(21-2)16(10-14)22-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide?
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 95214625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).