2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

C22H29N3O — CID 16895885

IUPAC2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(Cc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-11-17(2)21(18(3)12-16)22(26)24-14-19-6-9-25(10-7-19)15-20-5-4-8-23-13-20/h4-5,8,11-13,19H,6-7,9-10,14-15H2,1-3H3,(H,24,26)
InChIKeyAHAOEPKZQYDQKW-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.65
Rot. Bonds5

About 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895885) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895885
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(Cc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-11-17(2)21(18(3)12-16)22(26)24-14-19-6-9-25(10-7-19)15-20-5-4-8-23-13-20/h4-5,8,11-13,19H,6-7,9-10,14-15H2,1-3H3,(H,24,26)
InChIKeyAHAOEPKZQYDQKW-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
5-chloro-2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895834
N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044852
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895885) is 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is Cc1cc(C)c(C(=O)NCC2CCN(Cc3cccnc3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is AHAOEPKZQYDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-11-17(2)21(18(3)12-16)22(26)24-14-19-6-9-25(10-7-19)15-20-5-4-8-23-13-20/h4-5,8,11-13,19H,6-7,9-10,14-15H2,1-3H3,(H,24,26).
What are the key properties of 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).