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

C17H20F2N4O — CID 97019126

IUPAC(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H20F2N4O/c1-11(2)23-10-20-21-16(23)12-4-3-7-22(9-12)17(24)14-8-13(18)5-6-15(14)19/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyYVRMWBCTXUVBMN-GFCCVEGCSA-N
MW334.37 g/mol
LogP3.16
Rot. Bonds3

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

(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 97019126) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID97019126
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H20F2N4O/c1-11(2)23-10-20-21-16(23)12-4-3-7-22(9-12)17(24)14-8-13(18)5-6-15(14)19/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyYVRMWBCTXUVBMN-GFCCVEGCSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 71930629
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86906204
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627195
[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 91911875
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
[3-(2-methylsulfanylimidazol-1-yl)phenyl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935515
[4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 138998819
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 97019126) is (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is YVRMWBCTXUVBMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-11(2)23-10-20-21-16(23)12-4-3-7-22(9-12)17(24)14-8-13(18)5-6-15(14)19/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 334.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97019126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).