3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C22H29N3O4 — CID 16896001

IUPAC3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4/c1-27-19-12-17(13-20(28-2)21(19)29-3)22(26)24-14-16-7-10-25(11-8-16)15-18-6-4-5-9-23-18/h4-6,9,12-13,16H,7-8,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyAYZYONVHIVCRGO-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.75
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896001) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896001
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O4/c1-27-19-12-17(13-20(28-2)21(19)29-3)22(26)24-14-16-7-10-25(11-8-16)15-18-6-4-5-9-23-18/h4-6,9,12-13,16H,7-8,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyAYZYONVHIVCRGO-UHFFFAOYSA-N
XLogP2.75
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95194083
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896001) is 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is COc1cc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is AYZYONVHIVCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-19-12-17(13-20(28-2)21(19)29-3)22(26)24-14-16-7-10-25(11-8-16)15-18-6-4-5-9-23-18/h4-6,9,12-13,16H,7-8,10-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).