1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C17H23FN4O — CID 126899902

IUPAC1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncc(C3CC3)cn2)CC1
InChIInChI=1S/C17H23FN4O/c18-8-12-7-16(23)22(11-12)15-3-5-21(6-4-15)17-19-9-14(10-20-17)13-1-2-13/h9-10,12-13,15H,1-8,11H2
InChIKeyWTOQUIAPUDYHDU-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds4

About 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899902) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899902
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncc(C3CC3)cn2)CC1
InChIInChI=1S/C17H23FN4O/c18-8-12-7-16(23)22(11-12)15-3-5-21(6-4-15)17-19-9-14(10-20-17)13-1-2-13/h9-10,12-13,15H,1-8,11H2
InChIKeyWTOQUIAPUDYHDU-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one 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

US10906888, Example 193
CID 145441240
US10906888, Example 73
CID 145441270
US10906888, Example 87
CID 139580413
US10906888, Example 47
CID 141745994
US10906888, Example 76
CID 146186449
(3aR,7aR)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403060
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
2-(Cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449786
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-[[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554099
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 139580341

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899902) is 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2ncc(C3CC3)cn2)CC1.
What is the InChIKey of 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is WTOQUIAPUDYHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c18-8-12-7-16(23)22(11-12)15-3-5-21(6-4-15)17-19-9-14(10-20-17)13-1-2-13/h9-10,12-13,15H,1-8,11H2.
What are the key properties of 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).