2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid

C30H36Cl2N2O5Si — CID 58573626

IUPAC2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid
SMILESC[Si](C)(C)CCOCN1C(=O)[C@@]2(c3ccc(Cl)cc31)[C@@H](c1cccc(Cl)c1)C[C@H](CC(=O)O)C(=O)N2CC1CC1
InChIInChI=1S/C30H36Cl2N2O5Si/c1-40(2,3)12-11-39-18-33-26-16-23(32)9-10-24(26)30(29(33)38)25(20-5-4-6-22(31)13-20)14-21(15-27(35)36)28(37)34(30)17-19-7-8-19/h4-6,9-10,13,16,19,21,25H,7-8,11-12,14-15,17-18H2,1-3H3,(H,35,36)/t21-,25-,30-/m1/s1
InChIKeyNGLQSUAVKOBYRC-WIISGGPLSA-N
MW603.62 g/mol
LogP6.36
Rot. Bonds10

About 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid

2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid (PubChem CID 58573626) has the molecular formula C30H36Cl2N2O5Si and a molecular weight of 603.62 g/mol. Its IUPAC name is 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid
PubChem CID58573626
Molecular FormulaC30H36Cl2N2O5Si
Molecular Weight603.62 g/mol
Exact Mass602.18
IUPAC Name2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid
SMILESC[Si](C)(C)CCOCN1C(=O)[C@@]2(c3ccc(Cl)cc31)[C@@H](c1cccc(Cl)c1)C[C@H](CC(=O)O)C(=O)N2CC1CC1
InChIInChI=1S/C30H36Cl2N2O5Si/c1-40(2,3)12-11-39-18-33-26-16-23(32)9-10-24(26)30(29(33)38)25(20-5-4-6-22(31)13-20)14-21(15-27(35)36)28(37)34(30)17-19-7-8-19/h4-6,9-10,13,16,19,21,25H,7-8,11-12,14-15,17-18H2,1-3H3,(H,35,36)/t21-,25-,30-/m1/s1
InChIKeyNGLQSUAVKOBYRC-WIISGGPLSA-N
XLogP6.36
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.62
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid?
The IUPAC name of 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid (CID 58573626) is 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid.
What is the SMILES notation for 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid?
The canonical SMILES for 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid is C[Si](C)(C)CCOCN1C(=O)[C@@]2(c3ccc(Cl)cc31)[C@@H](c1cccc(Cl)c1)C[C@H](CC(=O)O)C(=O)N2CC1CC1.
What is the InChIKey of 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid?
The InChIKey is NGLQSUAVKOBYRC-WIISGGPLSA-N. The full InChI is InChI=1S/C30H36Cl2N2O5Si/c1-40(2,3)12-11-39-18-33-26-16-23(32)9-10-24(26)30(29(33)38)25(20-5-4-6-22(31)13-20)14-21(15-27(35)36)28(37)34(30)17-19-7-8-19/h4-6,9-10,13,16,19,21,25H,7-8,11-12,14-15,17-18H2,1-3H3,(H,35,36)/t21-,25-,30-/m1/s1.
What are the key properties of 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid?
2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid has a molecular weight of 603.62 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxo-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,6'-piperidine]-3'-yl]acetic acid is sourced from PubChem (CID 58573626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).