1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one

C23H37NO4Si — CID 134941892

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one
SMILESC[C@@H](OCc1ccccc1)C(=O)C1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C23H37NO4Si/c1-18(27-17-19-11-8-7-9-12-19)21(25)20-13-10-14-24(22(20)26)15-16-28-29(5,6)23(2,3)4/h7-9,11-12,18,20H,10,13-17H2,1-6H3/t18-,20?/m1/s1
InChIKeyISZCNGOYFVDWND-QSVWIEALSA-N
MW419.64 g/mol
LogP4.42
Rot. Bonds9

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one (PubChem CID 134941892) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one
PubChem CID134941892
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one
SMILESC[C@@H](OCc1ccccc1)C(=O)C1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C23H37NO4Si/c1-18(27-17-19-11-8-7-9-12-19)21(25)20-13-10-14-24(22(20)26)15-16-28-29(5,6)23(2,3)4/h7-9,11-12,18,20H,10,13-17H2,1-6H3/t18-,20?/m1/s1
InChIKeyISZCNGOYFVDWND-QSVWIEALSA-N
XLogP4.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-{[4-(Benzyloxy)-1-piperidinyl]carbonyl}-1-(methoxyacetyl)piperidine
CID 72838121
(5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)-2-piperidinone
CID 10645767
(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 15500412
(s)-1-Allyl-3-benzyloxy-2,6-piperidinedione
CID 44550893
(r)-1-Allyl-3-benzyloxy-2,6-piperidinedione
CID 49800298
7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-1-[(2S)-2-(phenylmethoxymethyl)piperidin-1-yl]octane-1,2,3-trione
CID 134917824
(3S,5S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
CID 162415175
[(2S,3S)-3-phenyl-2-trimethylsilyloxiran-2-yl]-piperidin-1-ylmethanone
CID 12135850
8a-O-benzyl 2-O-methyl (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate
CID 15468848
3-Methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 12084222
N-benzyloxycarbonyl-3-methyl-3-trimethylsilyloxy-4-piperidone
CID 20094588
3-Methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one
CID 22340967

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one (CID 134941892) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one is C[C@@H](OCc1ccccc1)C(=O)C1CCCN(CCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one?
The InChIKey is ISZCNGOYFVDWND-QSVWIEALSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-18(27-17-19-11-8-7-9-12-19)21(25)20-13-10-14-24(22(20)26)15-16-28-29(5,6)23(2,3)4/h7-9,11-12,18,20H,10,13-17H2,1-6H3/t18-,20?/m1/s1.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one has a molecular weight of 419.64 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one is sourced from PubChem (CID 134941892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).