N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C22H23ClFN3O2 — CID 55763363

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCCC3)cc2Cl)CCN1
InChIInChI=1S/C22H23ClFN3O2/c23-18-13-17(6-7-19(18)27-11-10-25-20(28)14-27)26-21(29)22(8-1-2-9-22)15-4-3-5-16(24)12-15/h3-7,12-13H,1-2,8-11,14H2,(H,25,28)(H,26,29)
InChIKeySTRDZUNTMRMQER-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.87
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 55763363) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID55763363
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCCC3)cc2Cl)CCN1
InChIInChI=1S/C22H23ClFN3O2/c23-18-13-17(6-7-19(18)27-11-10-25-20(28)14-27)26-21(29)22(8-1-2-9-22)15-4-3-5-16(24)12-15/h3-7,12-13H,1-2,8-11,14H2,(H,25,28)(H,26,29)
InChIKeySTRDZUNTMRMQER-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55763362
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 46435266
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 55661796
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 71896620
(E)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2,6-dichlorophenyl)prop-2-enamide
CID 55663147
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55661987
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55763705

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 55763363) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is O=C1CN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCCC3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is STRDZUNTMRMQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c23-18-13-17(6-7-19(18)27-11-10-25-20(28)14-27)26-21(29)22(8-1-2-9-22)15-4-3-5-16(24)12-15/h3-7,12-13H,1-2,8-11,14H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).