(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

C19H26F2N4O — CID 155974223

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1nc2c(c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)n1)CCC2
InChIInChI=1S/C19H26F2N4O/c1-13-22-16-4-2-3-15(16)17(23-13)24-9-5-14(6-10-24)18(26)25-11-7-19(20,21)8-12-25/h14H,2-12H2,1H3
InChIKeySUTVQNCANJUEPB-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.75
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155974223) has the molecular formula C19H26F2N4O and a molecular weight of 364.44 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155974223
Molecular FormulaC19H26F2N4O
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1nc2c(c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)n1)CCC2
InChIInChI=1S/C19H26F2N4O/c1-13-22-16-4-2-3-15(16)17(23-13)24-9-5-14(6-10-24)18(26)25-11-7-19(20,21)8-12-25/h14H,2-12H2,1H3
InChIKeySUTVQNCANJUEPB-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870314
2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 72904999
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92621633
2-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 92621709
2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 110263460
Cyclobutyl[7,8-dihydro-2-methyl-4-(1-piperidinyl)pyrido[4,3-d]pyrimidin-6(5H)-yl]methanone
CID 46126810
1-{5H,6H,7H-Cyclopenta[D]pyrimidin-4-YL}piperidine-4-carboxamide
CID 53192847
1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 53192884
1-(azepan-1-yl)-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanone
CID 53192886
1-[3-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 53192890
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70707876
1-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}-4-(1-methylpiperidin-4-YL)piperazine
CID 71836317

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (CID 155974223) is (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is Cc1nc2c(c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)n1)CCC2.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is SUTVQNCANJUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O/c1-13-22-16-4-2-3-15(16)17(23-13)24-9-5-14(6-10-24)18(26)25-11-7-19(20,21)8-12-25/h14H,2-12H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 364.44 g/mol, XLogP of 2.75, 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-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155974223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).