4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide

C21H21ClN4O3 — CID 108875035

IUPAC4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O3/c22-15-4-3-5-16(14-15)24-10-12-25(13-11-24)21(29)23-8-9-26-19(27)17-6-1-2-7-18(17)20(26)28/h1-7,14H,8-13H2,(H,23,29)
InChIKeySENAWZXZKSXZTD-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.47
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 108875035) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID108875035
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O3/c22-15-4-3-5-16(14-15)24-10-12-25(13-11-24)21(29)23-8-9-26-19(27)17-6-1-2-7-18(17)20(26)28/h1-7,14H,8-13H2,(H,23,29)
InChIKeySENAWZXZKSXZTD-UHFFFAOYSA-N
XLogP2.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 108874824
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-(3-chlorophenyl)-N-[6-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)hexyl]piperazine-1-carboxamide
CID 163409061
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603267

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide (CID 108875035) is 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide is O=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is SENAWZXZKSXZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-15-4-3-5-16(14-15)24-10-12-25(13-11-24)21(29)23-8-9-26-19(27)17-6-1-2-7-18(17)20(26)28/h1-7,14H,8-13H2,(H,23,29).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108875035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).