3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide

C25H37N3O3 — CID 91958003

IUPAC3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCC1(C)C(=O)N(CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-24(2)20-8-4-5-9-21(20)28(23(24)30)15-10-22(29)26-18-25(11-16-31-17-12-25)19-27-13-6-3-7-14-27/h4-5,8-9H,3,6-7,10-19H2,1-2H3,(H,26,29)
InChIKeyCHKAVXFWCLZZPI-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.10
Rot. Bonds7

About 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide

3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide (PubChem CID 91958003) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
PubChem CID91958003
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCC1(C)C(=O)N(CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-24(2)20-8-4-5-9-21(20)28(23(24)30)15-10-22(29)26-18-25(11-16-31-17-12-25)19-27-13-6-3-7-14-27/h4-5,8-9H,3,6-7,10-19H2,1-2H3,(H,26,29)
InChIKeyCHKAVXFWCLZZPI-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide (CID 91958003) is 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide is CC1(C)C(=O)N(CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c2ccccc21.
What is the InChIKey of 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The InChIKey is CHKAVXFWCLZZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-24(2)20-8-4-5-9-21(20)28(23(24)30)15-10-22(29)26-18-25(11-16-31-17-12-25)19-27-13-6-3-7-14-27/h4-5,8-9H,3,6-7,10-19H2,1-2H3,(H,26,29).
What are the key properties of 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide has a molecular weight of 427.59 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 91958003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).