[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone

C19H28N6O2 — CID 70761894

IUPAC[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCc1cccc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-23(2)12-17-21-22-18(24(17)3)14-8-10-25(11-9-14)19(26)16-7-5-6-15(20-16)13-27-4/h5-7,14H,8-13H2,1-4H3
InChIKeyUMGXAPLMMNMFJF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.44
Rot. Bonds6

About [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone

[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone (PubChem CID 70761894) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
PubChem CID70761894
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCc1cccc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-23(2)12-17-21-22-18(24(17)3)14-8-10-25(11-9-14)19(26)16-7-5-6-15(20-16)13-27-4/h5-7,14H,8-13H2,1-4H3
InChIKeyUMGXAPLMMNMFJF-UHFFFAOYSA-N
XLogP1.44
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 70735262
[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
CID 97210835
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 70736537
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 70769055
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917
(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70770436
3H-benzimidazol-5-yl-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70773877
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 72859715
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
(2,3-difluorophenyl)-[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95875635
[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 70709309
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 70761971

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone (CID 70761894) is [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone is COCc1cccc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)n1.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The InChIKey is UMGXAPLMMNMFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-23(2)12-17-21-22-18(24(17)3)14-8-10-25(11-9-14)19(26)16-7-5-6-15(20-16)13-27-4/h5-7,14H,8-13H2,1-4H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 70761894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).