N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide

C15H27F3N4O2 — CID 78892487

IUPACN-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
SMILESCC(CNC(=O)N1CCCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C15H27F3N4O2/c1-13(21-7-9-24-10-8-21)11-19-14(23)22-4-2-3-20(5-6-22)12-15(16,17)18/h13H,2-12H2,1H3,(H,19,23)
InChIKeyGPRZIEGEQQPDTB-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.99
Rot. Bonds4

About N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide

N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide (PubChem CID 78892487) has the molecular formula C15H27F3N4O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
PubChem CID78892487
Molecular FormulaC15H27F3N4O2
Molecular Weight352.40 g/mol
Exact Mass352.21
IUPAC NameN-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
SMILESCC(CNC(=O)N1CCCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C15H27F3N4O2/c1-13(21-7-9-24-10-8-21)11-19-14(23)22-4-2-3-20(5-6-22)12-15(16,17)18/h13H,2-12H2,1H3,(H,19,23)
InChIKeyGPRZIEGEQQPDTB-UHFFFAOYSA-N
XLogP0.99
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-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

ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134368
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 51129080
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 52515277
1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 52515279
4-[2-oxo-2-(propylamino)ethyl]-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperazine-1-carboxamide
CID 56158244
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 60604758
1-(3-Morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60606504
N-(2-methoxyethyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
CID 72013596

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide (CID 78892487) is N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide is CC(CNC(=O)N1CCCN(CC(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is GPRZIEGEQQPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N4O2/c1-13(21-7-9-24-10-8-21)11-19-14(23)22-4-2-3-20(5-6-22)12-15(16,17)18/h13H,2-12H2,1H3,(H,19,23).
What are the key properties of N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide?
N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 78892487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).