[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone

C23H37N3O2 — CID 163762168

IUPAC[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone
SMILESCC(C)CCN1CCN(C[C@@]2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(2)8-11-25-12-14-26(15-13-25)18-23(9-16-28-22(3,4)17-23)21(27)20-7-5-6-10-24-20/h5-7,10,19H,8-9,11-18H2,1-4H3/t23-/m1/s1
InChIKeyLZCHBSSJXARVIE-HSZRJFAPSA-N
MW387.57 g/mol
LogP3.50
Rot. Bonds7

About [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone

[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone (PubChem CID 163762168) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone
PubChem CID163762168
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone
SMILESCC(C)CCN1CCN(C[C@@]2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(2)8-11-25-12-14-26(15-13-25)18-23(9-16-28-22(3,4)17-23)21(27)20-7-5-6-10-24-20/h5-7,10,19H,8-9,11-18H2,1-4H3/t23-/m1/s1
InChIKeyLZCHBSSJXARVIE-HSZRJFAPSA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(4R)-2,2-dimethyl-4-[(3S)-3-[methyl(2-propan-2-yloxyethyl)amino]pyrrolidin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 139368794
[(4S)-2,2-dimethyl-4-[(3R)-3-[methyl(2-propan-2-yloxyethyl)amino]pyrrolidin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 139368778
[4-[4-[(3E,5Z)-4-fluoro-3-(methylideneamino)hepta-3,5-dienyl]piperazin-1-yl]-2,2-dimethyloxan-4-yl]-pyridin-2-ylmethanone
CID 145402944
[(4S)-4-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-2,2-dimethyloxan-4-yl]-pyridin-2-ylmethanone
CID 139368797
[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-propan-2-yloxypropane
CID 145402939
[(4S)-2,2-dimethyl-4-[4-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 138560415
[2,2-dimethyl-4-(1-methylpiperidin-4-yl)oxan-4-yl]-pyridin-2-ylmethanone;1-ethoxypropane
CID 145402922
N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-propan-2-ylsulfanylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide
CID 137336214
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
CID 116921184
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 134706799
formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide
CID 154919234
[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 158980740

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone (CID 163762168) is [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone is CC(C)CCN1CCN(C[C@@]2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1.
What is the InChIKey of [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone?
The InChIKey is LZCHBSSJXARVIE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(2)8-11-25-12-14-26(15-13-25)18-23(9-16-28-22(3,4)17-23)21(27)20-7-5-6-10-24-20/h5-7,10,19H,8-9,11-18H2,1-4H3/t23-/m1/s1.
What are the key properties of [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone?
[(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone has a molecular weight of 387.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyl-4-[[4-(3-methylbutyl)piperazin-1-yl]methyl]oxan-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 163762168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).