4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide

C17H24FN3O — CID 113214295

IUPAC4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H24FN3O/c1-2-20-9-11-21(12-10-20)16(22)19-13-17(7-8-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,22)
InChIKeyZQAOVAVTESTJIE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.20
Rot. Bonds4

About 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide

4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide (PubChem CID 113214295) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
PubChem CID113214295
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H24FN3O/c1-2-20-9-11-21(12-10-20)16(22)19-13-17(7-8-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,22)
InChIKeyZQAOVAVTESTJIE-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N,4-diethylpiperazine-1-carboxamide
CID 22309084
N-[(1-phenylcyclopropyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003007

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide (CID 113214295) is 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The InChIKey is ZQAOVAVTESTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-2-20-9-11-21(12-10-20)16(22)19-13-17(7-8-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,22).
What are the key properties of 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide?
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113214295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).