N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H18ClN3O3 — CID 86851777

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CC3c3ccco3)cc2Cl)CCN1
InChIInChI=1S/C18H18ClN3O3/c19-14-8-11(3-4-15(14)22-6-5-20-17(23)10-22)21-18(24)13-9-12(13)16-2-1-7-25-16/h1-4,7-8,12-13H,5-6,9-10H2,(H,20,23)(H,21,24)
InChIKeyFVGJAQZFCXXIMT-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.61
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86851777) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86851777
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CC3c3ccco3)cc2Cl)CCN1
InChIInChI=1S/C18H18ClN3O3/c19-14-8-11(3-4-15(14)22-6-5-20-17(23)10-22)21-18(24)13-9-12(13)16-2-1-7-25-16/h1-4,7-8,12-13H,5-6,9-10H2,(H,20,23)(H,21,24)
InChIKeyFVGJAQZFCXXIMT-UHFFFAOYSA-N
XLogP2.61
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46467787
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55763673
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
(E)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2,6-dichlorophenyl)prop-2-enamide
CID 55663147
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-carboxamide
CID 47045237
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-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46485394

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86851777) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C1CN(c2ccc(NC(=O)C3CC3c3ccco3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FVGJAQZFCXXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-8-11(3-4-15(14)22-6-5-20-17(23)10-22)21-18(24)13-9-12(13)16-2-1-7-25-16/h1-4,7-8,12-13H,5-6,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86851777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).