N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide

C19H22ClFN4O3 — CID 46324190

IUPACN-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H22ClFN4O3/c1-11-16(18(27)24(3)19(28)23(11)2)25-8-6-12(7-9-25)17(26)22-13-4-5-15(21)14(20)10-13/h4-5,10,12H,6-9H2,1-3H3,(H,22,26)
InChIKeyJELJZAROOQTKJE-UHFFFAOYSA-N
MW408.86 g/mol
LogP2.04
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 46324190) has the molecular formula C19H22ClFN4O3 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID46324190
Molecular FormulaC19H22ClFN4O3
Molecular Weight408.86 g/mol
Exact Mass408.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H22ClFN4O3/c1-11-16(18(27)24(3)19(28)23(11)2)25-8-6-12(7-9-25)17(26)22-13-4-5-15(21)14(20)10-13/h4-5,10,12H,6-9H2,1-3H3,(H,22,26)
InChIKeyJELJZAROOQTKJE-UHFFFAOYSA-N
XLogP2.04
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381251
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120633299
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide (CID 46324190) is N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide is Cc1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is JELJZAROOQTKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O3/c1-11-16(18(27)24(3)19(28)23(11)2)25-8-6-12(7-9-25)17(26)22-13-4-5-15(21)14(20)10-13/h4-5,10,12H,6-9H2,1-3H3,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46324190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).