1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide

C17H21N3O3 — CID 108974310

IUPAC1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)c1
InChIInChI=1S/C17H21N3O3/c1-13-3-2-4-14(11-13)18-15(22)17(5-6-17)16(23)20-9-7-19(12-21)8-10-20/h2-4,11-12H,5-10H2,1H3,(H,18,22)
InChIKeyGYFRUSQJHVQLJJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.01
Rot. Bonds4

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

1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 108974310) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID108974310
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)c1
InChIInChI=1S/C17H21N3O3/c1-13-3-2-4-14(11-13)18-15(22)17(5-6-17)16(23)20-9-7-19(12-21)8-10-20/h2-4,11-12H,5-10H2,1H3,(H,18,22)
InChIKeyGYFRUSQJHVQLJJ-UHFFFAOYSA-N
XLogP1.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylcyclopropane-1-carboxamide
CID 108974308
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108974325
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
1-(4-acetylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974517
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 108974310) is 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2(C(=O)N3CCN(C=O)CC3)CC2)c1.
What is the InChIKey of 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GYFRUSQJHVQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-3-2-4-14(11-13)18-15(22)17(5-6-17)16(23)20-9-7-19(12-21)8-10-20/h2-4,11-12H,5-10H2,1H3,(H,18,22).
What are the key properties of 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).