4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide

C19H33F3N4O — CID 126790099

IUPAC4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C19H33F3N4O/c20-19(21,22)15-24-10-6-16(7-11-24)14-23-18(27)26-9-3-8-25(12-13-26)17-4-1-2-5-17/h16-17H,1-15H2,(H,23,27)
InChIKeyWWNOYONNWSBRSF-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.92
Rot. Bonds4

About 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide

4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide (PubChem CID 126790099) has the molecular formula C19H33F3N4O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide
PubChem CID126790099
Molecular FormulaC19H33F3N4O
Molecular Weight390.49 g/mol
Exact Mass390.26
IUPAC Name4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C19H33F3N4O/c20-19(21,22)15-24-10-6-16(7-11-24)14-23-18(27)26-9-3-8-25(12-13-26)17-4-1-2-5-17/h16-17H,1-15H2,(H,23,27)
InChIKeyWWNOYONNWSBRSF-UHFFFAOYSA-N
XLogP2.92
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
CID 164635769
4-(cyclohexylmethyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,4-diazepane-1-carboxamide
CID 47086954
N-[2-(diethylamino)-4-methylpentyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 78887434
N-(1-piperidin-1-ylpropan-2-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 78892006
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 86800121
1-Cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
N-[3-(4-methylpiperidin-1-yl)propyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87002659
N-(1-cyclopropylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003146
N-[1-(2-methylpropyl)piperidin-4-yl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003308
N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87005502
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87006976
N-[4-(2-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87006993

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide (CID 126790099) is 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is WWNOYONNWSBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3N4O/c20-19(21,22)15-24-10-6-16(7-11-24)14-23-18(27)26-9-3-8-25(12-13-26)17-4-1-2-5-17/h16-17H,1-15H2,(H,23,27).
What are the key properties of 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide?
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 126790099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).