(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one

C24H29N3O3 — CID 26146714

IUPAC(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C(c1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C24H29N3O3/c28-23-17-26(24(29)20-11-13-25-14-12-20)15-22(30-18-19-7-3-1-4-8-19)16-27(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-18H2/t22-/m0/s1
InChIKeyYLSYVCZWUGACKI-QFIPXVFZSA-N
MW407.51 g/mol
LogP3.28
Rot. Bonds5

About (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one

(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one (PubChem CID 26146714) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
PubChem CID26146714
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
SMILESO=C(c1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C24H29N3O3/c28-23-17-26(24(29)20-11-13-25-14-12-20)15-22(30-18-19-7-3-1-4-8-19)16-27(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-18H2/t22-/m0/s1
InChIKeyYLSYVCZWUGACKI-QFIPXVFZSA-N
XLogP3.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26133474
(6R)-1-cyclohexyl-4-(2-methylpyridine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26144031
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
1-cyclohexyl-6-phenylmethoxy-4-(2-pyridin-3-ylacetyl)-1,4-diazepan-2-one
CID 45165380
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26146652
(6R)-1-cyclohexyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26145446
(6R)-1-cyclohexyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26147254
(6R)-1-cyclohexyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26229155
1-cyclohexyl-4-(2-ethyl-5-methylpyrazole-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45161759
(6S)-1-cyclohexyl-4-[2-(1H-indol-3-yl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26134582
1-cyclohexyl-4-[2-(4-methoxyphenyl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45160154

Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one (CID 26146714) is (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one is O=C(c1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1.
What is the InChIKey of (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one?
The InChIKey is YLSYVCZWUGACKI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23-17-26(24(29)20-11-13-25-14-12-20)15-22(30-18-19-7-3-1-4-8-19)16-27(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21-22H,2,5-6,9-10,15-18H2/t22-/m0/s1.
What are the key properties of (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one?
(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 26146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).