1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C19H24N4O2 — CID 87052178

IUPAC1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C19H24N4O2/c24-18(13-25-16-6-2-1-3-7-16)23-11-5-4-8-17(23)19-21-20-14-22(19)12-15-9-10-15/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyCZIFFSCJOAVVNY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.82
Rot. Bonds6

About 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 87052178) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID87052178
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C19H24N4O2/c24-18(13-25-16-6-2-1-3-7-16)23-11-5-4-8-17(23)19-21-20-14-22(19)12-15-9-10-15/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyCZIFFSCJOAVVNY-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Fluorophenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 53526242
1-[4-(2-Phenoxyethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 45807948
2-(2-Chlorophenoxy)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 45811836
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-phenoxypropan-2-amine
CID 50952518
2-[(3-Methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51080869
1-[4-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]-2-(4-fluorophenoxy)ethan-1-one
CID 53192427
4-(4-Ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
CID 53192497
2-(4-Fluorophenoxy)-1-[4-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192588
2-(4-chlorophenoxy)-1-[5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193613
1-[2-(4-Methoxyphenoxy)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53499152
2-(4-fluorophenoxy)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 53514618
1-[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 53522325

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 87052178) is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is CZIFFSCJOAVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(13-25-16-6-2-1-3-7-16)23-11-5-4-8-17(23)19-21-20-14-22(19)12-15-9-10-15/h1-3,6-7,14-15,17H,4-5,8-13H2.
What are the key properties of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 340.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 87052178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).