N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C35H49N5O6Si — CID 23928866

IUPACN-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
SMILESC[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1cccc(NC(=O)C3CCCNC3)c1)c1ccc(NC(=O)C3CCCNC3)cc12
InChIInChI=1S/C35H49N5O6Si/c1-22-31(47(2,3)45)30(13-16-41)46-35(22)28-18-27(39-33(43)25-9-6-15-37-20-25)11-12-29(28)40(34(35)44)21-23-7-4-10-26(17-23)38-32(42)24-8-5-14-36-19-24/h4,7,10-12,17-18,22,24-25,30-31,36-37,41,45H,5-6,8-9,13-16,19-21H2,1-3H3,(H,38,42)(H,39,43)/t22-,24?,25?,30+,31-,35+/m0/s1
InChIKeyOBDVHXKXDUNQSN-HNIGQMJISA-N
MW663.89 g/mol
LogP3.29
Rot. Bonds9

About N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23928866) has the molecular formula C35H49N5O6Si and a molecular weight of 663.89 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
PubChem CID23928866
Molecular FormulaC35H49N5O6Si
Molecular Weight663.89 g/mol
Exact Mass663.35
IUPAC NameN-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
SMILESC[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1cccc(NC(=O)C3CCCNC3)c1)c1ccc(NC(=O)C3CCCNC3)cc12
InChIInChI=1S/C35H49N5O6Si/c1-22-31(47(2,3)45)30(13-16-41)46-35(22)28-18-27(39-33(43)25-9-6-15-37-20-25)11-12-29(28)40(34(35)44)21-23-7-4-10-26(17-23)38-32(42)24-8-5-14-36-19-24/h4,7,10-12,17-18,22,24-25,30-31,36-37,41,45H,5-6,8-9,13-16,19-21H2,1-3H3,(H,38,42)(H,39,43)/t22-,24?,25?,30+,31-,35+/m0/s1
InChIKeyOBDVHXKXDUNQSN-HNIGQMJISA-N
XLogP3.29
TPSA152.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.89
LogP ≤ 53.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
CID 23817259
N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(piperidine-3-carbonylamino)spiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 23900979
N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
CID 23787590
N-[3-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 23984827
N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 23758543
N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
CID 23757394
N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
CID 23816409
N-[4-[[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 23873581
N-[(3R,3'R,4'S,5'R)-1-[(3-benzamidophenyl)methyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
CID 23872876
N-[3-[[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23901450
N-[4-[[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-5-nitro-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 23845433
N-[3-[[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
CID 23929172

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23928866) is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1cccc(NC(=O)C3CCCNC3)c1)c1ccc(NC(=O)C3CCCNC3)cc12.
What is the InChIKey of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?
The InChIKey is OBDVHXKXDUNQSN-HNIGQMJISA-N. The full InChI is InChI=1S/C35H49N5O6Si/c1-22-31(47(2,3)45)30(13-16-41)46-35(22)28-18-27(39-33(43)25-9-6-15-37-20-25)11-12-29(28)40(34(35)44)21-23-7-4-10-26(17-23)38-32(42)24-8-5-14-36-19-24/h4,7,10-12,17-18,22,24-25,30-31,36-37,41,45H,5-6,8-9,13-16,19-21H2,1-3H3,(H,38,42)(H,39,43)/t22-,24?,25?,30+,31-,35+/m0/s1.
What are the key properties of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?
N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 663.89 g/mol, XLogP of 3.29, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23928866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).