1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide

C19H25N3O3 — CID 108974325

IUPAC1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-14(2)15-5-3-4-6-16(15)20-17(24)19(7-8-19)18(25)22-11-9-21(13-23)10-12-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)
InChIKeyDGJGXLKYRLMKGR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide

1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 108974325) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID108974325
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C19H25N3O3/c1-14(2)15-5-3-4-6-16(15)20-17(24)19(7-8-19)18(25)22-11-9-21(13-23)10-12-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,24)
InChIKeyDGJGXLKYRLMKGR-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.83
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-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108978512
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80591264
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970408
1-N'-tert-butyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979351
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-N-(2-propan-2-ylphenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981987
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 108974325) is 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccccc1NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DGJGXLKYRLMKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)15-5-3-4-6-16(15)20-17(24)19(7-8-19)18(25)22-11-9-21(13-23)10-12-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.83, 5 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-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).