1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

C15H18ClF3N4O — CID 15713198

IUPAC1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18ClF3N4O/c16-11-8-12(21-14(20-11)15(17,18)19)22-6-3-10(4-7-22)9-23-5-1-2-13(23)24/h8,10H,1-7,9H2
InChIKeyDBWQDGYUPDJTNN-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.99
Rot. Bonds3

About 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 15713198) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID15713198
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC Name1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18ClF3N4O/c16-11-8-12(21-14(20-11)15(17,18)19)22-6-3-10(4-7-22)9-23-5-1-2-13(23)24/h8,10H,1-7,9H2
InChIKeyDBWQDGYUPDJTNN-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

Bmy 21502
CID 129930
1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
1-(2-amino-6-chloropyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060469
1-[[1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidine-2,5-dione
CID 9927990
1-[[1-[2-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554113
1-[[1-[5-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554114
4-Chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460339
2-Methyl-4-chloro-6-(2-oxo-1-pyrrolidinyl)pyrimidine
CID 1382128
4-Chloro-2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80945752
4-Chloro-2-propan-2-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80951810
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105553679
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 105553747

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 15713198) is 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is DBWQDGYUPDJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N4O/c16-11-8-12(21-14(20-11)15(17,18)19)22-6-3-10(4-7-22)9-23-5-1-2-13(23)24/h8,10H,1-7,9H2.
What are the key properties of 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 362.78 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15713198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).