[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C19H26F2N4O — CID 163358156

IUPAC[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)nc(C2CC2)n1
InChIInChI=1S/C19H26F2N4O/c1-13-11-16(23-17(22-13)14-4-5-14)25-8-2-3-15(12-25)18(26)24-9-6-19(20,21)7-10-24/h11,14-15H,2-10,12H2,1H3
InChIKeyRUWIQCSKYZKZFD-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.14
Rot. Bonds3

About [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163358156) has the molecular formula C19H26F2N4O and a molecular weight of 364.44 g/mol. Its IUPAC name is [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163358156
Molecular FormulaC19H26F2N4O
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)nc(C2CC2)n1
InChIInChI=1S/C19H26F2N4O/c1-13-11-16(23-17(22-13)14-4-5-14)25-8-2-3-15(12-25)18(26)24-9-6-19(20,21)7-10-24/h11,14-15H,2-10,12H2,1H3
InChIKeyRUWIQCSKYZKZFD-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 163357777

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163358156) is [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is Cc1cc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)nc(C2CC2)n1.
What is the InChIKey of [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is RUWIQCSKYZKZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O/c1-13-11-16(23-17(22-13)14-4-5-14)25-8-2-3-15(12-25)18(26)24-9-6-19(20,21)7-10-24/h11,14-15H,2-10,12H2,1H3.
What are the key properties of [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 364.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163358156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).