N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C17H20ClN3O4 — CID 108974343

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)cc1Cl
InChIInChI=1S/C17H20ClN3O4/c1-25-14-3-2-12(10-13(14)18)19-15(23)17(4-5-17)16(24)21-8-6-20(11-22)7-9-21/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyXOVBNZYQZBAHDG-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.37
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974343) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974343
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)cc1Cl
InChIInChI=1S/C17H20ClN3O4/c1-25-14-3-2-12(10-13(14)18)19-15(23)17(4-5-17)16(24)21-8-6-20(11-22)7-9-21/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyXOVBNZYQZBAHDG-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308
N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974343) is N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is XOVBNZYQZBAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-25-14-3-2-12(10-13(14)18)19-15(23)17(4-5-17)16(24)21-8-6-20(11-22)7-9-21/h2-3,10-11H,4-9H2,1H3,(H,19,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).