1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone

C14H22FN3O — CID 162477831

IUPAC1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2ncc(C(C)C)c2C)[C@@H](F)C1
InChIInChI=1S/C14H22FN3O/c1-9(2)12-7-16-18(10(12)3)14-5-6-17(11(4)19)8-13(14)15/h7,9,13-14H,5-6,8H2,1-4H3/t13-,14-/m0/s1
InChIKeyHGBHTPVFPHGRMN-KBPBESRZSA-N
MW267.35 g/mol
LogP2.45
Rot. Bonds2

About 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone

1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 162477831) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID162477831
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2ncc(C(C)C)c2C)[C@@H](F)C1
InChIInChI=1S/C14H22FN3O/c1-9(2)12-7-16-18(10(12)3)14-5-6-17(11(4)19)8-13(14)15/h7,9,13-14H,5-6,8H2,1-4H3/t13-,14-/m0/s1
InChIKeyHGBHTPVFPHGRMN-KBPBESRZSA-N
XLogP2.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone 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

(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 172908503
3,3,3-trifluoro-1-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 129356837
3,3,3-trifluoro-1-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 121021048
[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 164634702
(2,2-Difluorocyclopropyl)-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 122472065
(2,2-Difluorocyclopropyl)-[4-(3,4-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 122485277
3-(Difluoromethyl)-1,4-di(propan-2-yl)pyrazole
CID 122532870
1-[4-[2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 122633507
(2,2-Difluorocyclopropyl)-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 130236118
2,2,2-Trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130387987
2,2,2-Trifluoro-1-[4-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388015
2,2,2-trifluoro-1-[(3S,4S)-3-methyl-4-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388040

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 162477831) is 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CC[C@H](n2ncc(C(C)C)c2C)[C@@H](F)C1.
What is the InChIKey of 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is HGBHTPVFPHGRMN-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9(2)12-7-16-18(10(12)3)14-5-6-17(11(4)19)8-13(14)15/h7,9,13-14H,5-6,8H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 267.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 162477831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).