6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H22ClN5O2 — CID 142496543

IUPAC6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(OCc4ccc(Cl)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H22ClN5O2/c1-12-17(18(26)25-19(21-12)22-13(2)23-25)24-9-7-16(8-10-24)27-11-14-3-5-15(20)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,21,22,23)
InChIKeySIWSVFHFZYHCNU-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.87
Rot. Bonds4

About 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142496543) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142496543
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(OCc4ccc(Cl)cc4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H22ClN5O2/c1-12-17(18(26)25-19(21-12)22-13(2)23-25)24-9-7-16(8-10-24)27-11-14-3-5-15(20)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,21,22,23)
InChIKeySIWSVFHFZYHCNU-UHFFFAOYSA-N
XLogP2.87
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142496513
6-[4-(4-fluorophenoxy)piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142496539
6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142496529
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
CID 133422042
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188
1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one
CID 157066767
3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 59165688
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11449605
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 71009985

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142496543) is 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(N3CCC(OCc4ccc(Cl)cc4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SIWSVFHFZYHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12-17(18(26)25-19(21-12)22-13(2)23-25)24-9-7-16(8-10-24)27-11-14-3-5-15(20)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 387.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).