N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C14H24N4O3 — CID 109133637

IUPACN-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H24N4O3/c1-16(2)4-3-15-13(20)11-9-12(11)14(21)18-7-5-17(10-19)6-8-18/h10-12H,3-9H2,1-2H3,(H,15,20)
InChIKeyXTPDWFYWFXXFLF-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.40
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109133637) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109133637
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H24N4O3/c1-16(2)4-3-15-13(20)11-9-12(11)14(21)18-7-5-17(10-19)6-8-18/h10-12H,3-9H2,1-2H3,(H,15,20)
InChIKeyXTPDWFYWFXXFLF-UHFFFAOYSA-N
XLogP-1.40
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133636
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132908
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678
N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
CID 108988177
4-[2-(4-formylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134481
4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134315
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134542
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
N-(2,6-diethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134564
N-(2,6-dimethylphenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134555
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132906
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109133637) is N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CN(C)CCNC(=O)C1CC1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is XTPDWFYWFXXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-16(2)4-3-15-13(20)11-9-12(11)14(21)18-7-5-17(10-19)6-8-18/h10-12H,3-9H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).