N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide

C19H29FN4O2 — CID 37192477

IUPACN,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-3-23(4-2)19(26)24-13-11-22(12-14-24)15-18(25)21-10-9-16-5-7-17(20)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,21,25)
InChIKeyMISOMGGPPDSFPR-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.56
Rot. Bonds7

About N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 37192477) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID37192477
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-3-23(4-2)19(26)24-13-11-22(12-14-24)15-18(25)21-10-9-16-5-7-17(20)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,21,25)
InChIKeyMISOMGGPPDSFPR-UHFFFAOYSA-N
XLogP1.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 47028760
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 136527123
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide (CID 37192477) is N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is MISOMGGPPDSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-3-23(4-2)19(26)24-13-11-22(12-14-24)15-18(25)21-10-9-16-5-7-17(20)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,21,25).
What are the key properties of N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 37192477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).