[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C20H24FN3O — CID 95590778

IUPAC[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc([C@@H]2C[C@H]2C(=O)N2CCC(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C20H24FN3O/c1-23-13-16(12-22-23)18-11-19(18)20(25)24-7-5-14(6-8-24)9-15-3-2-4-17(21)10-15/h2-4,10,12-14,18-19H,5-9,11H2,1H3/t18-,19+/m0/s1
InChIKeyDTUFAABWHRISNR-RBUKOAKNSA-N
MW341.43 g/mol
LogP3.14
Rot. Bonds4

About [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 95590778) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID95590778
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc([C@@H]2C[C@H]2C(=O)N2CCC(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C20H24FN3O/c1-23-13-16(12-22-23)18-11-19(18)20(25)24-7-5-14(6-8-24)9-15-3-2-4-17(21)10-15/h2-4,10,12-14,18-19H,5-9,11H2,1H3/t18-,19+/m0/s1
InChIKeyDTUFAABWHRISNR-RBUKOAKNSA-N
XLogP3.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 129422473
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590775
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95590699
[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56821626
[2-(3-chlorophenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866034
[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120926114
(3R)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 129422396
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 124735224

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 95590778) is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(Cc3cccc(F)c3)CC2)cn1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is DTUFAABWHRISNR-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23-13-16(12-22-23)18-11-19(18)20(25)24-7-5-14(6-8-24)9-15-3-2-4-17(21)10-15/h2-4,10,12-14,18-19H,5-9,11H2,1H3/t18-,19+/m0/s1.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 95590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).