N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide

C21H22ClN3O2 — CID 169138122

IUPACN-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(26)23-17-5-2-15(3-6-17)13-25-10-8-21(9-11-25)18-12-16(22)4-7-19(18)24-20(21)27/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyRJORHXNSJNWZCP-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.78
Rot. Bonds3

About N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide

N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide (PubChem CID 169138122) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
PubChem CID169138122
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(26)23-17-5-2-15(3-6-17)13-25-10-8-21(9-11-25)18-12-16(22)4-7-19(18)24-20(21)27/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyRJORHXNSJNWZCP-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide (CID 169138122) is N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide?
The InChIKey is RJORHXNSJNWZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(26)23-17-5-2-15(3-6-17)13-25-10-8-21(9-11-25)18-12-16(22)4-7-19(18)24-20(21)27/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide?
N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 169138122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).