N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide

C21H29Cl2N3O2 — CID 86944746

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H29Cl2N3O2/c22-18-7-3-6-16(20(18)23)8-9-19(27)24-10-11-25-12-14-26(15-13-25)21(28)17-4-1-2-5-17/h3,6-7,17H,1-2,4-5,8-15H2,(H,24,27)
InChIKeyKLYSKXTWDJAARH-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide (PubChem CID 86944746) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
PubChem CID86944746
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H29Cl2N3O2/c22-18-7-3-6-16(20(18)23)8-9-19(27)24-10-11-25-12-14-26(15-13-25)21(28)17-4-1-2-5-17/h3,6-7,17H,1-2,4-5,8-15H2,(H,24,27)
InChIKeyKLYSKXTWDJAARH-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]acetamide
CID 86944860
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687
1-[(2-chlorophenyl)methyl]-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111567394
2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
CID 86944786
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-methylphenoxy)butanamide
CID 86944948
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 86944864
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86945002
N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60501101
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide (CID 86944746) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide is O=C(CCc1cccc(Cl)c1Cl)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is KLYSKXTWDJAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O2/c22-18-7-3-6-16(20(18)23)8-9-19(27)24-10-11-25-12-14-26(15-13-25)21(28)17-4-1-2-5-17/h3,6-7,17H,1-2,4-5,8-15H2,(H,24,27).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 426.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 86944746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).