2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide

C23H32N4O3 — CID 126953459

IUPAC2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCN1C(=O)CCCCC1CN1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1
InChIInChI=1S/C23H32N4O3/c1-25-17(5-2-3-8-23(25)29)15-26-12-9-18(10-13-26)30-21-7-4-6-20-19(21)11-14-27(20)16-22(24)28/h4,6-7,11,14,17-18H,2-3,5,8-10,12-13,15-16H2,1H3,(H2,24,28)
InChIKeyHGKHGUMPAUVMOE-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953459) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953459
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCN1C(=O)CCCCC1CN1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1
InChIInChI=1S/C23H32N4O3/c1-25-17(5-2-3-8-23(25)29)15-26-12-9-18(10-13-26)30-21-7-4-6-20-19(21)11-14-27(20)16-22(24)28/h4,6-7,11,14,17-18H,2-3,5,8-10,12-13,15-16H2,1H3,(H2,24,28)
InChIKeyHGKHGUMPAUVMOE-UHFFFAOYSA-N
XLogP2.37
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide with MolForge

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Related Compounds

6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953524
2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953562
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953459) is 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide is CN1C(=O)CCCCC1CN1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1.
What is the InChIKey of 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is HGKHGUMPAUVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-25-17(5-2-3-8-23(25)29)15-26-12-9-18(10-13-26)30-21-7-4-6-20-19(21)11-14-27(20)16-22(24)28/h4,6-7,11,14,17-18H,2-3,5,8-10,12-13,15-16H2,1H3,(H2,24,28).
What are the key properties of 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).