N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C18H24ClN5O3 — CID 50831289

IUPACN-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C18H24ClN5O3/c1-21-6-8-22(9-7-21)16(25)12-23-10-11-24(13-17(23)26)18(27)20-15-4-2-14(19)3-5-15/h2-5H,6-13H2,1H3,(H,20,27)
InChIKeyQWNVEONKXCRIKW-UHFFFAOYSA-N
MW393.88 g/mol
LogP0.79
Rot. Bonds3

About N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 50831289) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID50831289
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC NameN-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C18H24ClN5O3/c1-21-6-8-22(9-7-21)16(25)12-23-10-11-24(13-17(23)26)18(27)20-15-4-2-14(19)3-5-15/h2-5H,6-13H2,1H3,(H,20,27)
InChIKeyQWNVEONKXCRIKW-UHFFFAOYSA-N
XLogP0.79
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 50831233
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198
4-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-N-(4-chlorophenyl)-3-oxopiperazine-1-carboxamide
CID 50831187
N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831155
N-(4-chlorophenyl)-3-methyl-4-oxoimidazolidine-1-carboxamide
CID 135143194
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
N-(4-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831401
N-(4-chlorophenyl)-4-[3-(dimethylamino)propanoyl]piperazine-1-carboxamide
CID 110422231
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588
N-(4-bromophenyl)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 93072599
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 50831289) is N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is CN1CCN(C(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is QWNVEONKXCRIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3/c1-21-6-8-22(9-7-21)16(25)12-23-10-11-24(13-17(23)26)18(27)20-15-4-2-14(19)3-5-15/h2-5H,6-13H2,1H3,(H,20,27).
What are the key properties of N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 50831289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).