[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C19H26N6O — CID 70710150

IUPAC[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3cccnc3)CC2)n1C1CC1
InChIInChI=1S/C19H26N6O/c1-23(2)13-17-21-22-18(25(17)16-5-6-16)14-7-10-24(11-8-14)19(26)15-4-3-9-20-12-15/h3-4,9,12,14,16H,5-8,10-11,13H2,1-2H3
InChIKeyURZRBGWTKWIYBN-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.09
Rot. Bonds5

About [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 70710150) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID70710150
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3cccnc3)CC2)n1C1CC1
InChIInChI=1S/C19H26N6O/c1-23(2)13-17-21-22-18(25(17)16-5-6-16)14-7-10-24(11-8-14)19(26)15-4-3-9-20-12-15/h3-4,9,12,14,16H,5-8,10-11,13H2,1-2H3
InChIKeyURZRBGWTKWIYBN-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70786110
1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70737628
[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]-pyrrolidin-1-ylmethanone
CID 134790815
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 72853652
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 70736537
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
3H-benzimidazol-5-yl-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70773877
1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70747237
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906

Frequently Asked Questions

What is the IUPAC name of [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 70710150) is [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is CN(C)Cc1nnc(C2CCN(C(=O)c3cccnc3)CC2)n1C1CC1.
What is the InChIKey of [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is URZRBGWTKWIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23(2)13-17-21-22-18(25(17)16-5-6-16)14-7-10-24(11-8-14)19(26)15-4-3-9-20-12-15/h3-4,9,12,14,16H,5-8,10-11,13H2,1-2H3.
What are the key properties of [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 354.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 70710150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).