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

C18H20ClFN4O3 — CID 46381251

IUPACN-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H20ClFN4O3/c1-22-15(10-16(25)23(2)18(22)27)24-7-5-11(6-8-24)17(26)21-12-3-4-14(20)13(19)9-12/h3-4,9-11H,5-8H2,1-2H3,(H,21,26)
InChIKeyPZOPNRXPWJNVAP-UHFFFAOYSA-N
MW394.83 g/mol
LogP1.73
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381251) has the molecular formula C18H20ClFN4O3 and a molecular weight of 394.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381251
Molecular FormulaC18H20ClFN4O3
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H20ClFN4O3/c1-22-15(10-16(25)23(2)18(22)27)24-7-5-11(6-8-24)17(26)21-12-3-4-14(20)13(19)9-12/h3-4,9-11H,5-8H2,1-2H3,(H,21,26)
InChIKeyPZOPNRXPWJNVAP-UHFFFAOYSA-N
XLogP1.73
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide
CID 46324190
N-(3-chlorophenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381346
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
(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
N-(3-chloro-4-fluorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50743000

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381251) is N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is PZOPNRXPWJNVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O3/c1-22-15(10-16(25)23(2)18(22)27)24-7-5-11(6-8-24)17(26)21-12-3-4-14(20)13(19)9-12/h3-4,9-11H,5-8H2,1-2H3,(H,21,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 394.83 g/mol, XLogP of 1.73, 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-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).