N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

C18H25N3O2 — CID 108973986

IUPACN-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCN(C)CC2)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-21(15-7-5-4-6-8-15)17(23)18(9-10-18)16(22)20-13-11-19(2)12-14-20/h4-8H,3,9-14H2,1-2H3
InChIKeyQZPAQZXHXFXEDL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide

N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 108973986) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
PubChem CID108973986
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCN(C)CC2)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-21(15-7-5-4-6-8-15)17(23)18(9-10-18)16(22)20-13-11-19(2)12-14-20/h4-8H,3,9-14H2,1-2H3
InChIKeyQZPAQZXHXFXEDL-UHFFFAOYSA-N
XLogP1.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978238
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N-methyl-N-phenyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972027
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
1-N-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977960
1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981840
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide (CID 108973986) is N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide is CCN(C(=O)C1(C(=O)N2CCN(C)CC2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is QZPAQZXHXFXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-21(15-7-5-4-6-8-15)17(23)18(9-10-18)16(22)20-13-11-19(2)12-14-20/h4-8H,3,9-14H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide?
N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 108973986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).