[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C18H24F2N4O — CID 163358108

IUPAC[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2cc(C3CC3)ncn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N4O/c19-18(20)5-8-23(9-6-18)17(25)14-2-1-7-24(11-14)16-10-15(13-3-4-13)21-12-22-16/h10,12-14H,1-9,11H2
InChIKeyFOXUELBUFSHKAV-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.83
Rot. Bonds3

About [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163358108) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163358108
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2cc(C3CC3)ncn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N4O/c19-18(20)5-8-23(9-6-18)17(25)14-2-1-7-24(11-14)16-10-15(13-3-4-13)21-12-22-16/h10,12-14H,1-9,11H2
InChIKeyFOXUELBUFSHKAV-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163358108) is [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCN(c2cc(C3CC3)ncn2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is FOXUELBUFSHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c19-18(20)5-8-23(9-6-18)17(25)14-2-1-7-24(11-14)16-10-15(13-3-4-13)21-12-22-16/h10,12-14H,1-9,11H2.
What are the key properties of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 350.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163358108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).