1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide

C22H31N5O2 — CID 167867825

IUPAC1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide
SMILESCOCc1nc2n(n1)CCCC2NC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H31N5O2/c1-22(10-13-26(14-11-22)15-17-7-4-3-5-8-17)21(28)23-18-9-6-12-27-20(18)24-19(25-27)16-29-2/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,23,28)
InChIKeyFBKGFFOPZGKIGA-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.68
Rot. Bonds6

About 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide

1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 167867825) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide
PubChem CID167867825
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide
SMILESCOCc1nc2n(n1)CCCC2NC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H31N5O2/c1-22(10-13-26(14-11-22)15-17-7-4-3-5-8-17)21(28)23-18-9-6-12-27-20(18)24-19(25-27)16-29-2/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,23,28)
InChIKeyFBKGFFOPZGKIGA-UHFFFAOYSA-N
XLogP2.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1H-indene-2-sulfonamide
CID 128996608
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
CID 97226202
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128968425
(8S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233358
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
CID 129471482
5-chloro-N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 129381495

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide (CID 167867825) is 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide is COCc1nc2n(n1)CCCC2NC(=O)C1(C)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is FBKGFFOPZGKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-22(10-13-26(14-11-22)15-17-7-4-3-5-8-17)21(28)23-18-9-6-12-27-20(18)24-19(25-27)16-29-2/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,23,28).
What are the key properties of 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide?
1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 167867825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).