4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide

C19H30N2O — CID 167678619

IUPAC4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide
SMILESCCC1(CC)CCN(Cc2ccc(C(=O)NC)cc2C)CC1
InChIInChI=1S/C19H30N2O/c1-5-19(6-2)9-11-21(12-10-19)14-17-8-7-16(13-15(17)3)18(22)20-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,22)
InChIKeyOLAUMBHAOLARFL-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.76
Rot. Bonds5

About 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide

4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide (PubChem CID 167678619) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide
PubChem CID167678619
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide
SMILESCCC1(CC)CCN(Cc2ccc(C(=O)NC)cc2C)CC1
InChIInChI=1S/C19H30N2O/c1-5-19(6-2)9-11-21(12-10-19)14-17-8-7-16(13-15(17)3)18(22)20-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,22)
InChIKeyOLAUMBHAOLARFL-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(4,4-diethylpiperidin-1-yl)methyl]benzoic acid
CID 102669962
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
CID 83000296
4-[[3,3-di(ethyl)piperidin-1-yl]methyl]-3-fluoro-N-methylbenzamide;ethane;yttrium
CID 167634828
4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481917
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzoic acid
CID 114485539
N,3-dimethyl-4-(3-methylpentyl)benzamide
CID 165142506
3-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid
CID 114485404
1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65065050
3-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 114485540
CID 167532226
CID 167532226

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide (CID 167678619) is 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide is CCC1(CC)CCN(Cc2ccc(C(=O)NC)cc2C)CC1.
What is the InChIKey of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide?
The InChIKey is OLAUMBHAOLARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-19(6-2)9-11-21(12-10-19)14-17-8-7-16(13-15(17)3)18(22)20-4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,20,22).
What are the key properties of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide?
4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide has a molecular weight of 302.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 167678619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).