2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide

C17H24ClN3O3 — CID 70767118

IUPAC2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H24ClN3O3/c1-4-5-6-14-16(22)20(2)9-10-21(14)17(23)19-13-11-12(18)7-8-15(13)24-3/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,23)
InChIKeyFIIZQPTVJCBGHB-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.21
Rot. Bonds5

About 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide

2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 70767118) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID70767118
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H24ClN3O3/c1-4-5-6-14-16(22)20(2)9-10-21(14)17(23)19-13-11-12(18)7-8-15(13)24-3/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,23)
InChIKeyFIIZQPTVJCBGHB-UHFFFAOYSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70757054
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CID 97118417
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965013
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
CID 137334290
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(5-chloro-2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90569005
N-(5-chloro-2-methoxyphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965172

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide (CID 70767118) is 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide is CCCCC1C(=O)N(C)CCN1C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is FIIZQPTVJCBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-4-5-6-14-16(22)20(2)9-10-21(14)17(23)19-13-11-12(18)7-8-15(13)24-3/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide?
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 70767118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).