[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone

C20H29NOSi — CID 10687684

IUPAC[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone
SMILESC[Si](C)(C)/C=C/[C@@H]1[C@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H29NOSi/c1-23(2,3)15-12-17-18(16-10-6-4-7-11-16)19(17)20(22)21-13-8-5-9-14-21/h4,6-7,10-12,15,17-19H,5,8-9,13-14H2,1-3H3/b15-12+/t17-,18-,19-/m0/s1
InChIKeyZEUQVIKYHUNQSP-CPBXXRDBSA-N
MW327.54 g/mol
LogP4.46
Rot. Bonds4

About [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone

[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 10687684) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone
PubChem CID10687684
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC Name[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone
SMILESC[Si](C)(C)/C=C/[C@@H]1[C@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H29NOSi/c1-23(2,3)15-12-17-18(16-10-6-4-7-11-16)19(17)20(22)21-13-8-5-9-14-21/h4,6-7,10-12,15,17-19H,5,8-9,13-14H2,1-3H3/b15-12+/t17-,18-,19-/m0/s1
InChIKeyZEUQVIKYHUNQSP-CPBXXRDBSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
CID 139093014
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S,3R)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11732083
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
piperidine-1-carboxylic acid;styrene
CID 174300067
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 136583837
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
methyl (1S,2S,3R)-2-(2-methoxyphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 10685962
(E)-3-[(1S,2R,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
CID 122385044

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone (CID 10687684) is [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone is C[Si](C)(C)/C=C/[C@@H]1[C@H](C(=O)N2CCCCC2)[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is ZEUQVIKYHUNQSP-CPBXXRDBSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-23(2,3)15-12-17-18(16-10-6-4-7-11-16)19(17)20(22)21-13-8-5-9-14-21/h4,6-7,10-12,15,17-19H,5,8-9,13-14H2,1-3H3/b15-12+/t17-,18-,19-/m0/s1.
What are the key properties of [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone?
[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 327.54 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10687684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).