cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

C34H37Cl2N3O2 — CID 11527187

IUPACcis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CC2(CCN(C[C@@H]3C[C@@]3(C(=O)N(C)[C@H](C)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C34H37Cl2N3O2/c1-23(25-9-5-4-6-10-25)37(3)32(41)34(26-13-14-29(35)30(36)19-26)20-27(34)21-38-17-15-33(16-18-38)22-39(24(2)40)31-12-8-7-11-28(31)33/h4-14,19,23,27H,15-18,20-22H2,1-3H3/t23-,27+,34-/m1/s1
InChIKeyVKKFJWXUYQBIKA-DJYPOATFSA-N
MW590.60 g/mol
LogP6.87
Rot. Bonds6

About cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (PubChem CID 11527187) has the molecular formula C34H37Cl2N3O2 and a molecular weight of 590.60 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
PubChem CID11527187
Molecular FormulaC34H37Cl2N3O2
Molecular Weight590.60 g/mol
Exact Mass589.23
IUPAC Namecis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CC2(CCN(C[C@@H]3C[C@@]3(C(=O)N(C)[C@H](C)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C34H37Cl2N3O2/c1-23(25-9-5-4-6-10-25)37(3)32(41)34(26-13-14-29(35)30(36)19-26)20-27(34)21-38-17-15-33(16-18-38)22-39(24(2)40)31-12-8-7-11-28(31)33/h4-14,19,23,27H,15-18,20-22H2,1-3H3/t23-,27+,34-/m1/s1
InChIKeyVKKFJWXUYQBIKA-DJYPOATFSA-N
XLogP6.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.60
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (CID 11527187) is cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is CC(=O)N1CC2(CCN(C[C@@H]3C[C@@]3(C(=O)N(C)[C@H](C)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The InChIKey is VKKFJWXUYQBIKA-DJYPOATFSA-N. The full InChI is InChI=1S/C34H37Cl2N3O2/c1-23(25-9-5-4-6-10-25)37(3)32(41)34(26-13-14-29(35)30(36)19-26)20-27(34)21-38-17-15-33(16-18-38)22-39(24(2)40)31-12-8-7-11-28(31)33/h4-14,19,23,27H,15-18,20-22H2,1-3H3/t23-,27+,34-/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide has a molecular weight of 590.60 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11527187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).