N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide

C17H26N2O2 — CID 82731476

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
SMILESCCC1CCCNC1CNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-4-13-6-5-9-18-15(13)11-19-17(20)14-8-7-12(2)16(10-14)21-3/h7-8,10,13,15,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeySHZCAMPEBKKBCM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide

N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide (PubChem CID 82731476) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
PubChem CID82731476
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
SMILESCCC1CCCNC1CNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-4-13-6-5-9-18-15(13)11-19-17(20)14-8-7-12(2)16(10-14)21-3/h7-8,10,13,15,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeySHZCAMPEBKKBCM-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide (CID 82731476) is N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide is CCC1CCCNC1CNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is SHZCAMPEBKKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13-6-5-9-18-15(13)11-19-17(20)14-8-7-12(2)16(10-14)21-3/h7-8,10,13,15,18H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide?
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 82731476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).