N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide

C23H30N4O3 — CID 86944864

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H30N4O3/c28-21-9-11-27(20-8-4-3-7-19(20)21)17-22(29)24-10-12-25-13-15-26(16-14-25)23(30)18-5-1-2-6-18/h3-4,7-9,11,18H,1-2,5-6,10,12-17H2,(H,24,29)
InChIKeyLUWIXDRWCIDZIQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.45
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 86944864) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID86944864
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H30N4O3/c28-21-9-11-27(20-8-4-3-7-19(20)21)17-22(29)24-10-12-25-13-15-26(16-14-25)23(30)18-5-1-2-6-18/h3-4,7-9,11,18H,1-2,5-6,10,12-17H2,(H,24,29)
InChIKeyLUWIXDRWCIDZIQ-UHFFFAOYSA-N
XLogP1.45
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 131906533
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 86944767
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 86944846
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
CID 86944746
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
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
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]acetamide
CID 86944860

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 86944864) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is LUWIXDRWCIDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-21-9-11-27(20-8-4-3-7-19(20)21)17-22(29)24-10-12-25-13-15-26(16-14-25)23(30)18-5-1-2-6-18/h3-4,7-9,11,18H,1-2,5-6,10,12-17H2,(H,24,29).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 86944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).