1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

C16H19N3O3 — CID 108974308

IUPAC1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C16H19N3O3/c20-12-18-8-10-19(11-9-18)15(22)16(6-7-16)14(21)17-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)
InChIKeyDAYHXYGKIKVFHB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.71
Rot. Bonds4

About 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 108974308) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
PubChem CID108974308
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C16H19N3O3/c20-12-18-8-10-19(11-9-18)15(22)16(6-7-16)14(21)17-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)
InChIKeyDAYHXYGKIKVFHB-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.71
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-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108974325
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970408
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (CID 108974308) is 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide is O=CN1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is DAYHXYGKIKVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-12-18-8-10-19(11-9-18)15(22)16(6-7-16)14(21)17-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21).
What are the key properties of 1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.71, 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-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 108974308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).