(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

C23H37N3O2 — CID 26137654

IUPAC(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
SMILESCCN1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)CC1
InChIInChI=1S/C23H37N3O2/c1-4-24-12-10-21(11-13-24)25-15-22(28-18-20-8-6-5-7-9-20)16-26(14-19(2)3)23(27)17-25/h5-9,19,21-22H,4,10-18H2,1-3H3/t22-/m1/s1
InChIKeyCJNJLVIILFQIKA-JOCHJYFZSA-N
MW387.57 g/mol
LogP2.86
Rot. Bonds7

About (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one (PubChem CID 26137654) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one.

Molecular Properties

Compound Name(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
PubChem CID26137654
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
SMILESCCN1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)CC1
InChIInChI=1S/C23H37N3O2/c1-4-24-12-10-21(11-13-24)25-15-22(28-18-20-8-6-5-7-9-20)16-26(14-19(2)3)23(27)17-25/h5-9,19,21-22H,4,10-18H2,1-3H3/t22-/m1/s1
InChIKeyCJNJLVIILFQIKA-JOCHJYFZSA-N
XLogP2.86
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[4-(2-methylpropyl)-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]piperidine-1-carboxylate
CID 45160634
4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 45165363
4-but-2-ynoyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 45164965
(6R)-1-(2-methylpropyl)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one
CID 29183197
(5R)-5-[2-[(6S)-4-(2-methylpropyl)-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 26230389
(6R)-4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 29180937
(6S)-1-(2-methylpropyl)-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one
CID 26215607
1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one
CID 45163509
(6R)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 28739133
4-[(4-hydroxyphenyl)methyl]-6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 45163295
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45162830

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The IUPAC name of (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one (CID 26137654) is (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one.
What is the SMILES notation for (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The canonical SMILES for (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one is CCN1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)CC1.
What is the InChIKey of (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The InChIKey is CJNJLVIILFQIKA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-4-24-12-10-21(11-13-24)25-15-22(28-18-20-8-6-5-7-9-20)16-26(14-19(2)3)23(27)17-25/h5-9,19,21-22H,4,10-18H2,1-3H3/t22-/m1/s1.
What are the key properties of (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one?
(6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one has a molecular weight of 387.57 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(1-ethylpiperidin-4-yl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one is sourced from PubChem (CID 26137654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).