[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone

C19H22F2N4O — CID 91911875

IUPAC[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C19H22F2N4O/c20-15-5-6-17(21)16(9-15)19(26)24-7-1-2-14(11-24)8-18-23-22-12-25(18)10-13-3-4-13/h5-6,9,12-14H,1-4,7-8,10-11H2
InChIKeyGYUJPDNVXIHGNN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.06
Rot. Bonds5

About [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone

[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone (PubChem CID 91911875) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone
PubChem CID91911875
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C19H22F2N4O/c20-15-5-6-17(21)16(9-15)19(26)24-7-1-2-14(11-24)8-18-23-22-12-25(18)10-13-3-4-13/h5-6,9,12-14H,1-4,7-8,10-11H2
InChIKeyGYUJPDNVXIHGNN-UHFFFAOYSA-N
XLogP3.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one
CID 91911878
[3-(bromomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 80667046
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
3-[[(3R)-1-(2,5-difluorobenzoyl)piperidin-3-yl]methyl]-5-methyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 136777743
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
[3-(bromomethyl)piperidin-1-yl]-(5-fluoro-2-nitrophenyl)methanone
CID 80660098

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone (CID 91911875) is [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)N1CCCC(Cc2nncn2CC2CC2)C1.
What is the InChIKey of [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is GYUJPDNVXIHGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-15-5-6-17(21)16(9-15)19(26)24-7-1-2-14(11-24)8-18-23-22-12-25(18)10-13-3-4-13/h5-6,9,12-14H,1-4,7-8,10-11H2.
What are the key properties of [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone?
[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 360.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 91911875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).