N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C15H19F3N4O3S — CID 2810898

IUPACN-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O3S/c16-15(17,18)12-1-5-19-14(21-12)22-6-2-10(3-7-22)13(23)20-11-4-8-26(24,25)9-11/h1,5,10-11H,2-4,6-9H2,(H,20,23)
InChIKeyCQRKODOUKGSMTD-UHFFFAOYSA-N
MW392.40 g/mol
LogP1.02
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 2810898) has the molecular formula C15H19F3N4O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID2810898
Molecular FormulaC15H19F3N4O3S
Molecular Weight392.40 g/mol
Exact Mass392.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O3S/c16-15(17,18)12-1-5-19-14(21-12)22-6-2-10(3-7-22)13(23)20-11-4-8-26(24,25)9-11/h1,5,10-11H,2-4,6-9H2,(H,20,23)
InChIKeyCQRKODOUKGSMTD-UHFFFAOYSA-N
XLogP1.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-Cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 56593003
Thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2796309
1-[4-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidine-4-carboxamide
CID 40155098
N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 59568959
1-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 69180380
[3-(Aminomethyl)pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 69180381
N-[[1-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-1-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 87310868
N-[[1-[4-[(2,4-dioxo-1,3-thiazolidin-1-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 123692281
2-[4-(Trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 168210207
N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-1-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 173053832
N-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158519

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 2810898) is N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is CQRKODOUKGSMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3S/c16-15(17,18)12-1-5-19-14(21-12)22-6-2-10(3-7-22)13(23)20-11-4-8-26(24,25)9-11/h1,5,10-11H,2-4,6-9H2,(H,20,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2810898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).