N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide

C20H32FN3O — CID 70381560

IUPACN-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H32FN3O/c1-4-22-20(25)24-14-12-23(13-15-24)11-5-6-19(16(2)3)17-7-9-18(21)10-8-17/h7-10,16,19H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeySWBRFJATXWYZLB-UHFFFAOYSA-N
MW349.49 g/mol
LogP3.69
Rot. Bonds7

About N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide

N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide (PubChem CID 70381560) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
PubChem CID70381560
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC NameN-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H32FN3O/c1-4-22-20(25)24-14-12-23(13-15-24)11-5-6-19(16(2)3)17-7-9-18(21)10-8-17/h7-10,16,19H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeySWBRFJATXWYZLB-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-2-iodopiperazine-1-carboxamide;hydrochloride
CID 70381815
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110354080
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 23371536

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide (CID 70381560) is N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide?
The InChIKey is SWBRFJATXWYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-4-22-20(25)24-14-12-23(13-15-24)11-5-6-19(16(2)3)17-7-9-18(21)10-8-17/h7-10,16,19H,4-6,11-15H2,1-3H3,(H,22,25).
What are the key properties of N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide?
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide has a molecular weight of 349.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide is sourced from PubChem (CID 70381560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).