N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide

C16H20F2N4O3 — CID 51307317

IUPACN-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20F2N4O3/c17-12-1-2-14(13(18)11-12)19-15(23)20-3-5-21(6-4-20)16(24)22-7-9-25-10-8-22/h1-2,11H,3-10H2,(H,19,23)
InChIKeyUXDKDRFRNKSAPU-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.57
Rot. Bonds1

About N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide (PubChem CID 51307317) has the molecular formula C16H20F2N4O3 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
PubChem CID51307317
Molecular FormulaC16H20F2N4O3
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC NameN-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20F2N4O3/c17-12-1-2-14(13(18)11-12)19-15(23)20-3-5-21(6-4-20)16(24)22-7-9-25-10-8-22/h1-2,11H,3-10H2,(H,19,23)
InChIKeyUXDKDRFRNKSAPU-UHFFFAOYSA-N
XLogP1.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide (CID 51307317) is N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is UXDKDRFRNKSAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3/c17-12-1-2-14(13(18)11-12)19-15(23)20-3-5-21(6-4-20)16(24)22-7-9-25-10-8-22/h1-2,11H,3-10H2,(H,19,23).
What are the key properties of N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 51307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).