[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C19H20FN3O — CID 124991616

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2ccncn2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O/c20-16-6-2-1-5-15(16)19(8-9-19)18(24)23-11-3-4-14(12-23)17-7-10-21-13-22-17/h1-2,5-7,10,13-14H,3-4,8-9,11-12H2/t14-/m1/s1
InChIKeyPKSLBYLSLUPKED-CQSZACIVSA-N
MW325.39 g/mol
LogP3.05
Rot. Bonds3

About [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 124991616) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID124991616
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](c2ccncn2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O/c20-16-6-2-1-5-15(16)19(8-9-19)18(24)23-11-3-4-14(12-23)17-7-10-21-13-22-17/h1-2,5-7,10,13-14H,3-4,8-9,11-12H2/t14-/m1/s1
InChIKeyPKSLBYLSLUPKED-CQSZACIVSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116390
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125003153
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772941
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
(E)-3-phenyl-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]prop-2-en-1-one
CID 125018008
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 90649172

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 124991616) is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is O=C(N1CCC[C@@H](c2ccncn2)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is PKSLBYLSLUPKED-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-6-2-1-5-15(16)19(8-9-19)18(24)23-11-3-4-14(12-23)17-7-10-21-13-22-17/h1-2,5-7,10,13-14H,3-4,8-9,11-12H2/t14-/m1/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 325.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124991616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).