(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

C30H31ClN2O2 — CID 23911681

IUPAC(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(CC=Cc3ccccc3)CC1)CN2C(=O)OCc1ccccc1Cl
InChIInChI=1S/C30H31ClN2O2/c1-23-13-14-28-26(20-23)30(22-33(28)29(34)35-21-25-11-5-6-12-27(25)31)15-18-32(19-16-30)17-7-10-24-8-3-2-4-9-24/h2-14,20H,15-19,21-22H2,1H3
InChIKeySLJOPHHSQGFYGU-UHFFFAOYSA-N
MW487.04 g/mol
LogP6.85
Rot. Bonds5

About (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 23911681) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID23911681
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC Name(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(CC=Cc3ccccc3)CC1)CN2C(=O)OCc1ccccc1Cl
InChIInChI=1S/C30H31ClN2O2/c1-23-13-14-28-26(20-23)30(22-33(28)29(34)35-21-25-11-5-6-12-27(25)31)15-18-32(19-16-30)17-7-10-24-8-3-2-4-9-24/h2-14,20H,15-19,21-22H2,1H3
InChIKeySLJOPHHSQGFYGU-UHFFFAOYSA-N
XLogP6.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
(2-chloro-4H-azepin-5-yl)-[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;ethane
CID 142841860
2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 23961254
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23961555
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
N-(4-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854059
(4-nitrophenyl)-[1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 67122567
(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 53344855
3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 23911681) is (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is Cc1ccc2c(c1)C1(CCN(CC=Cc3ccccc3)CC1)CN2C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is SLJOPHHSQGFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c1-23-13-14-28-26(20-23)30(22-33(28)29(34)35-21-25-11-5-6-12-27(25)31)15-18-32(19-16-30)17-7-10-24-8-3-2-4-9-24/h2-14,20H,15-19,21-22H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
(2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 487.04 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 23911681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).