2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H22ClN5O3 — CID 42844021

IUPAC2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)[nH]c1=O
InChIInChI=1S/C18H22ClN5O3/c1-3-20-16(25)13-11-21-18(22-17(13)26)24-8-6-23(7-9-24)14-10-12(19)4-5-15(14)27-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyFCGGRPJWEUBVIQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 42844021) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID42844021
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)[nH]c1=O
InChIInChI=1S/C18H22ClN5O3/c1-3-20-16(25)13-11-21-18(22-17(13)26)24-8-6-23(7-9-24)14-10-12(19)4-5-15(14)27-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyFCGGRPJWEUBVIQ-UHFFFAOYSA-N
XLogP1.51
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 24719436
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843995
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42843948
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
4-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-2-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136742984
methyl 5-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate
CID 19934797
4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
CID 42691004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 42844021) is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FCGGRPJWEUBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-3-20-16(25)13-11-21-18(22-17(13)26)24-8-6-23(7-9-24)14-10-12(19)4-5-15(14)27-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 42844021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).