N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide

C17H22F2N4O3 — CID 17425435

IUPACN-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1)N1CCOCC1
InChIInChI=1S/C17H22F2N4O3/c18-13-1-2-15(14(19)11-13)20-17(25)23-5-3-21(4-6-23)12-16(24)22-7-9-26-10-8-22/h1-2,11H,3-10,12H2,(H,20,25)
InChIKeyQBSBGIGOWVPDBQ-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.97
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide (PubChem CID 17425435) has the molecular formula C17H22F2N4O3 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
PubChem CID17425435
Molecular FormulaC17H22F2N4O3
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC NameN-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1)N1CCOCC1
InChIInChI=1S/C17H22F2N4O3/c18-13-1-2-15(14(19)11-13)20-17(25)23-5-3-21(4-6-23)12-16(24)22-7-9-26-10-8-22/h1-2,11H,3-10,12H2,(H,20,25)
InChIKeyQBSBGIGOWVPDBQ-UHFFFAOYSA-N
XLogP0.97
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide (CID 17425435) is N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1)N1CCOCC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The InChIKey is QBSBGIGOWVPDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3/c18-13-1-2-15(14(19)11-13)20-17(25)23-5-3-21(4-6-23)12-16(24)22-7-9-26-10-8-22/h1-2,11H,3-10,12H2,(H,20,25).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17425435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).