[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

C18H25N7O3 — CID 56718022

IUPAC[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(OC)nc(N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)n1
InChIInChI=1S/C18H25N7O3/c1-27-15-11-16(28-2)20-18(19-15)24-9-5-13(6-10-24)25-12-14(21-22-25)17(26)23-7-3-4-8-23/h11-13H,3-10H2,1-2H3
InChIKeyGYYGNLCYXPOJHC-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.16
Rot. Bonds5

About [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56718022) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56718022
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(OC)nc(N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)n1
InChIInChI=1S/C18H25N7O3/c1-27-15-11-16(28-2)20-18(19-15)24-9-5-13(6-10-24)25-12-14(21-22-25)17(26)23-7-3-4-8-23/h11-13H,3-10H2,1-2H3
InChIKeyGYYGNLCYXPOJHC-UHFFFAOYSA-N
XLogP1.16
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
[1-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 45172354
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
CID 42361479
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (CID 56718022) is [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is COc1cc(OC)nc(N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)n1.
What is the InChIKey of [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GYYGNLCYXPOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-27-15-11-16(28-2)20-18(19-15)24-9-5-13(6-10-24)25-12-14(21-22-25)17(26)23-7-3-4-8-23/h11-13H,3-10H2,1-2H3.
What are the key properties of [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.44 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56718022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).