4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide

C19H24Cl2N4O3 — CID 96564120

IUPAC4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCC(=O)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-13(18(27)24-6-4-15(26)5-7-24)22-19(28)25-10-8-23(9-11-25)14-2-3-16(20)17(21)12-14/h2-3,12-13H,4-11H2,1H3,(H,22,28)/t13-/m1/s1
InChIKeyABDKOINYMHDPHH-CYBMUJFWSA-N
MW427.33 g/mol
LogP2.40
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 96564120) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
PubChem CID96564120
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCC(=O)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-13(18(27)24-6-4-15(26)5-7-24)22-19(28)25-10-8-23(9-11-25)14-2-3-16(20)17(21)12-14/h2-3,12-13H,4-11H2,1H3,(H,22,28)/t13-/m1/s1
InChIKeyABDKOINYMHDPHH-CYBMUJFWSA-N
XLogP2.40
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
ethyl 4-[(2R)-2-[[4-(4-chlorophenyl)piperazine-1-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 96564180
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide
CID 52898029
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 137429725
1-[4-(3-amino-4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 82533970
3-chloro-N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]benzamide
CID 24739341
sodium 4-(3,4-dichlorophenyl)piperazine-1-carbodithioic acid
CID 54608754

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide (CID 96564120) is 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCC(=O)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is ABDKOINYMHDPHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3/c1-13(18(27)24-6-4-15(26)5-7-24)22-19(28)25-10-8-23(9-11-25)14-2-3-16(20)17(21)12-14/h2-3,12-13H,4-11H2,1H3,(H,22,28)/t13-/m1/s1.
What are the key properties of 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 96564120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).