3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one

C21H27F3N2O2 — CID 119787917

IUPAC3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)C1CCNCC1
InChIInChI=1S/C21H27F3N2O2/c1-13(14-2-6-25-7-3-14)10-19(27)26-8-4-15(5-9-26)21(28)20-17(23)11-16(22)12-18(20)24/h11-15,25H,2-10H2,1H3
InChIKeyCIWQUYBDHRJBEP-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.55
Rot. Bonds5

About 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one

3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one (PubChem CID 119787917) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
PubChem CID119787917
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC Name3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)C1CCNCC1
InChIInChI=1S/C21H27F3N2O2/c1-13(14-2-6-25-7-3-14)10-19(27)26-8-4-15(5-9-26)21(28)20-17(23)11-16(22)12-18(20)24/h11-15,25H,2-10H2,1H3
InChIKeyCIWQUYBDHRJBEP-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119756701
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119710258
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
CID 56790869
2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 119787926
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one (CID 119787917) is 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one is CC(CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one?
The InChIKey is CIWQUYBDHRJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c1-13(14-2-6-25-7-3-14)10-19(27)26-8-4-15(5-9-26)21(28)20-17(23)11-16(22)12-18(20)24/h11-15,25H,2-10H2,1H3.
What are the key properties of 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one?
3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one has a molecular weight of 396.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).