3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

C18H28N2O — CID 106626473

IUPAC3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-13(2)20(12-17-7-5-6-8-19-17)18(21)16-10-14(3)9-15(4)11-16/h9-11,13,17,19H,5-8,12H2,1-4H3
InChIKeyFEOLCWMIMSZRHT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.30
Rot. Bonds4

About 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626473) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626473
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-13(2)20(12-17-7-5-6-8-19-17)18(21)16-10-14(3)9-15(4)11-16/h9-11,13,17,19H,5-8,12H2,1-4H3
InChIKeyFEOLCWMIMSZRHT-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626571
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 106626706
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626473) is 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is Cc1cc(C)cc(C(=O)N(CC2CCCCN2)C(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is FEOLCWMIMSZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)20(12-17-7-5-6-8-19-17)18(21)16-10-14(3)9-15(4)11-16/h9-11,13,17,19H,5-8,12H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).