(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

C22H25ClN2O2 — CID 11749455

IUPAC(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCC(O)CN1CCC2(CC1)CN(C(=O)c1ccccc1Cl)c1ccccc12
InChIInChI=1S/C22H25ClN2O2/c1-16(26)14-24-12-10-22(11-13-24)15-25(20-9-5-3-7-18(20)22)21(27)17-6-2-4-8-19(17)23/h2-9,16,26H,10-15H2,1H3
InChIKeyJJWXTXGZLFYAPC-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.71
Rot. Bonds3

About (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 11749455) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID11749455
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCC(O)CN1CCC2(CC1)CN(C(=O)c1ccccc1Cl)c1ccccc12
InChIInChI=1S/C22H25ClN2O2/c1-16(26)14-24-12-10-22(11-13-24)15-25(20-9-5-3-7-18(20)22)21(27)17-6-2-4-8-19(17)23/h2-9,16,26H,10-15H2,1H3
InChIKeyJJWXTXGZLFYAPC-UHFFFAOYSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 11749455) is (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is CC(O)CN1CCC2(CC1)CN(C(=O)c1ccccc1Cl)c1ccccc12.
What is the InChIKey of (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is JJWXTXGZLFYAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(26)14-24-12-10-22(11-13-24)15-25(20-9-5-3-7-18(20)22)21(27)17-6-2-4-8-19(17)23/h2-9,16,26H,10-15H2,1H3.
What are the key properties of (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 384.91 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 11749455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).