N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide

C22H25ClN4O3 — CID 25490702

IUPACN-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O3/c23-18-8-4-5-9-19(18)25-20(28)16-26-12-14-27(15-13-26)21(29)10-11-24-22(30)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,24,30)(H,25,28)
InChIKeyBBLNCRCDPKGZRH-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.24
Rot. Bonds7

About N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide

N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 25490702) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID25490702
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O3/c23-18-8-4-5-9-19(18)25-20(28)16-26-12-14-27(15-13-26)21(29)10-11-24-22(30)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,24,30)(H,25,28)
InChIKeyBBLNCRCDPKGZRH-UHFFFAOYSA-N
XLogP2.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 35708070
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 25490702) is N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide is O=C(CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is BBLNCRCDPKGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c23-18-8-4-5-9-19(18)25-20(28)16-26-12-14-27(15-13-26)21(29)10-11-24-22(30)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,24,30)(H,25,28).
What are the key properties of N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?
N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 428.92 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 25490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).