(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone

C17H24F2N4O — CID 155975803

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H24F2N4O/c1-12-11-13(2)21-16(20-12)23-7-3-14(4-8-23)15(24)22-9-5-17(18,19)6-10-22/h11,14H,3-10H2,1-2H3
InChIKeyKBSACRWWLKUQNO-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.57
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 155975803) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID155975803
Molecular FormulaC17H24F2N4O
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H24F2N4O/c1-12-11-13(2)21-16(20-12)23-7-3-14(4-8-23)15(24)22-9-5-17(18,19)6-10-22/h11,14H,3-10H2,1-2H3
InChIKeyKBSACRWWLKUQNO-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734862
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 96558238
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735844

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone (CID 155975803) is (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone is Cc1cc(C)nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is KBSACRWWLKUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O/c1-12-11-13(2)21-16(20-12)23-7-3-14(4-8-23)15(24)22-9-5-17(18,19)6-10-22/h11,14H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).