N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

C19H23ClN4O3 — CID 46381346

IUPACN-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-3-24-16(12-17(25)22(2)19(24)27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(20)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,26)
InChIKeyKNYGXCFKFIWLFN-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.08
Rot. Bonds4

About N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381346) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381346
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-3-24-16(12-17(25)22(2)19(24)27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(20)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,26)
InChIKeyKNYGXCFKFIWLFN-UHFFFAOYSA-N
XLogP2.08
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46381335
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 93070805
N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381251
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46381377
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
(3S)-N-(3,5-dimethoxyphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086014
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381346) is N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KNYGXCFKFIWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-3-24-16(12-17(25)22(2)19(24)27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(20)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,26).
What are the key properties of N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).