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

C27H27ClN2O — CID 59004054

IUPAC(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H27ClN2O/c28-24-12-6-4-10-22(24)26(31)30-20-27(23-11-5-7-13-25(23)30)15-18-29(19-16-27)17-14-21-8-2-1-3-9-21/h1-13H,14-20H2
InChIKeyLPDYYTIFEXPYMH-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.58
Rot. Bonds4

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

(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 59004054) has the molecular formula C27H27ClN2O and a molecular weight of 430.98 g/mol. Its IUPAC name is (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID59004054
Molecular FormulaC27H27ClN2O
Molecular Weight430.98 g/mol
Exact Mass430.18
IUPAC Name(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H27ClN2O/c28-24-12-6-4-10-22(24)26(31)30-20-27(23-11-5-7-13-25(23)30)15-18-29(19-16-27)17-14-21-8-2-1-3-9-21/h1-13H,14-20H2
InChIKeyLPDYYTIFEXPYMH-UHFFFAOYSA-N
XLogP5.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 11749455
(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 59004170
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
4-(2-chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
CID 71914744
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 11151925
2-(spiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)pyridine-4-carboxylic acid
CID 122055995

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 59004054) is (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is O=C(c1ccccc1Cl)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is LPDYYTIFEXPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O/c28-24-12-6-4-10-22(24)26(31)30-20-27(23-11-5-7-13-25(23)30)15-18-29(19-16-27)17-14-21-8-2-1-3-9-21/h1-13H,14-20H2.
What are the key properties of (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 430.98 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 59004054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).