N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H28N4O2 — CID 108974203

IUPACN-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-4-22-11-13-23(14-12-22)18(25)19(9-10-19)17(24)20-15-5-7-16(8-6-15)21(2)3/h5-8H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyOXIPYKAWDSFHIA-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974203) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974203
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-4-22-11-13-23(14-12-22)18(25)19(9-10-19)17(24)20-15-5-7-16(8-6-15)21(2)3/h5-8H,4,9-14H2,1-3H3,(H,20,24)
InChIKeyOXIPYKAWDSFHIA-UHFFFAOYSA-N
XLogP1.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
1-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]cyclopropane-1-carboxamide
CID 108980477
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224
1-(4-ethylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974193
N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974129
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974233
N-[2-(4-chlorophenyl)ethyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974114

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974203) is N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)Nc3ccc(N(C)C)cc3)CC2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OXIPYKAWDSFHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-22-11-13-23(14-12-22)18(25)19(9-10-19)17(24)20-15-5-7-16(8-6-15)21(2)3/h5-8H,4,9-14H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).