3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide

C15H22N2O — CID 177301315

IUPAC3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(C(=O)c1ccc(C2CCNCC2)c(C)c1)C([2H])([2H])[2H]
InChIInChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3/i2D3,3D3
InChIKeyXFWBOGTZEHHQPN-XERRXZQWSA-N
MW252.39 g/mol
LogP2.16
Rot. Bonds4

About 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide

3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide (PubChem CID 177301315) has the molecular formula C15H22N2O and a molecular weight of 252.39 g/mol. Its IUPAC name is 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide
PubChem CID177301315
Molecular FormulaC15H22N2O
Molecular Weight252.39 g/mol
Exact Mass252.21
IUPAC Name3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])N(C(=O)c1ccc(C2CCNCC2)c(C)c1)C([2H])([2H])[2H]
InChIInChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3/i2D3,3D3
InChIKeyXFWBOGTZEHHQPN-XERRXZQWSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-4-piperidin-4-ylbenzamide
CID 70330604
3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 167709287
N,N,4-trimethyl-3-(piperidin-4-ylamino)benzamide
CID 54902739
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
N,N,2-trimethyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362069
N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
CID 155709393
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719
3-(azepan-4-ylamino)-N,N,4-trimethylbenzamide
CID 103981185
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide
CID 57192638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide?
The IUPAC name of 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide (CID 177301315) is 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide.
What is the SMILES notation for 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide?
The canonical SMILES for 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide is [2H]C([2H])([2H])N(C(=O)c1ccc(C2CCNCC2)c(C)c1)C([2H])([2H])[2H].
What is the InChIKey of 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide?
The InChIKey is XFWBOGTZEHHQPN-XERRXZQWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3/i2D3,3D3.
What are the key properties of 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide?
3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide has a molecular weight of 252.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-4-yl-N,N-bis(trideuteriomethyl)benzamide is sourced from PubChem (CID 177301315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).