3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide

C17H26N2O — CID 146131801

IUPAC3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
SMILESCCC1(C)CCN(Cc2cccc(C(=O)NC)c2)CC1
InChIInChI=1S/C17H26N2O/c1-4-17(2)8-10-19(11-9-17)13-14-6-5-7-15(12-14)16(20)18-3/h5-7,12H,4,8-11,13H2,1-3H3,(H,18,20)
InChIKeyNEXQVQACJFNMCS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.06
Rot. Bonds4

About 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide

3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide (PubChem CID 146131801) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
PubChem CID146131801
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
SMILESCCC1(C)CCN(Cc2cccc(C(=O)NC)c2)CC1
InChIInChI=1S/C17H26N2O/c1-4-17(2)8-10-19(11-9-17)13-14-6-5-7-15(12-14)16(20)18-3/h5-7,12H,4,8-11,13H2,1-3H3,(H,18,20)
InChIKeyNEXQVQACJFNMCS-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 111489703
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 120776448
3-ethyl-N-methylbenzamide
CID 59115297
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
tert-butyl 4-[[3-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate
CID 70337311
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide (CID 146131801) is 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide is CCC1(C)CCN(Cc2cccc(C(=O)NC)c2)CC1.
What is the InChIKey of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is NEXQVQACJFNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(2)8-10-19(11-9-17)13-14-6-5-7-15(12-14)16(20)18-3/h5-7,12H,4,8-11,13H2,1-3H3,(H,18,20).
What are the key properties of 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide?
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 146131801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).