(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

C25H37N3O3 — CID 26146598

IUPAC(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
SMILESCCC1(CC)C[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C25H37N3O3/c1-3-25(4-2)14-22(25)24(30)27-15-21(31-18-19-10-8-9-13-26-19)16-28(23(29)17-27)20-11-6-5-7-12-20/h8-10,13,20-22H,3-7,11-12,14-18H2,1-2H3/t21-,22-/m0/s1
InChIKeyHFZXUAVRSXNENS-VXKWHMMOSA-N
MW427.59 g/mol
LogP3.80
Rot. Bonds7

About (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one (PubChem CID 26146598) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one.

Molecular Properties

Compound Name(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
PubChem CID26146598
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
SMILESCCC1(CC)C[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C25H37N3O3/c1-3-25(4-2)14-22(25)24(30)27-15-21(31-18-19-10-8-9-13-26-19)16-28(23(29)17-27)20-11-6-5-7-12-20/h8-10,13,20-22H,3-7,11-12,14-18H2,1-2H3/t21-,22-/m0/s1
InChIKeyHFZXUAVRSXNENS-VXKWHMMOSA-N
XLogP3.80
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(6S)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
CID 26227927
1-cyclohexyl-6-(pyridin-2-ylmethoxy)-4-[4-(1,2,4-triazol-1-yl)butanoyl]-1,4-diazepan-2-one
CID 45160924
(6R)-1-cyclohexyl-4-(2-methylpyridine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26144031
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
CID 26146714
1-cyclohexyl-6-phenylmethoxy-4-(2-pyridin-3-ylacetyl)-1,4-diazepan-2-one
CID 45165380
(6S)-4-[(2S)-1-acetylpyrrolidine-2-carbonyl]-1-cyclohexyl-6-phenylmethoxy-1,4-diazepan-2-one
CID 26141920
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
(6S)-1-cyclohexyl-4-[(1R)-3-oxo-1,2-dihydroindene-1-carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26139481
(6S)-4-[(1R)-cyclohex-3-ene-1-carbonyl]-1-cyclohexyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26137818

Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one?
The IUPAC name of (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one (CID 26146598) is (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one.
What is the SMILES notation for (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one?
The canonical SMILES for (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one is CCC1(CC)C[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1.
What is the InChIKey of (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one?
The InChIKey is HFZXUAVRSXNENS-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-3-25(4-2)14-22(25)24(30)27-15-21(31-18-19-10-8-9-13-26-19)16-28(23(29)17-27)20-11-6-5-7-12-20/h8-10,13,20-22H,3-7,11-12,14-18H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one?
(6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one has a molecular weight of 427.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclohexyl-4-[(1R)-2,2-diethylcyclopropanecarbonyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one is sourced from PubChem (CID 26146598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).