[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate

C22H30N4O4Si — CID 67651505

IUPAC[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate
SMILESCC(=O)C(N)(CC#C[Si](C)(C)C)C(=O)OC1CCCN(c2ccc(C=NN)cc2)C1=O
InChIInChI=1S/C22H30N4O4Si/c1-16(27)22(23,12-6-14-31(2,3)4)21(29)30-19-7-5-13-26(20(19)28)18-10-8-17(9-11-18)15-25-24/h8-11,15,19H,5,7,12-13,23-24H2,1-4H3
InChIKeyHLKZUHIVHDJOJE-UHFFFAOYSA-N
MW442.59 g/mol
LogP1.58
Rot. Bonds6

About [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate

[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate (PubChem CID 67651505) has the molecular formula C22H30N4O4Si and a molecular weight of 442.59 g/mol. Its IUPAC name is [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Name[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate
PubChem CID67651505
Molecular FormulaC22H30N4O4Si
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate
SMILESCC(=O)C(N)(CC#C[Si](C)(C)C)C(=O)OC1CCCN(c2ccc(C=NN)cc2)C1=O
InChIInChI=1S/C22H30N4O4Si/c1-16(27)22(23,12-6-14-31(2,3)4)21(29)30-19-7-5-13-26(20(19)28)18-10-8-17(9-11-18)15-25-24/h8-11,15,19H,5,7,12-13,23-24H2,1-4H3
InChIKeyHLKZUHIVHDJOJE-UHFFFAOYSA-N
XLogP1.58
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-ethyl-3-[[2-[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-5-trimethylsilylpent-4-ynoic acid
CID 70277015
2-[[2-[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]butanoic acid
CID 70087554
3-[[2-[(3S)-1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]pent-2-enoic acid
CID 139824387
ethyl 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 70083317
3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 70083296
2-acetyl-5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]pent-4-ynoic acid
CID 23215178
(3R)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;[1-(4-bromophenyl)-2-oxopyrrolidin-3-yl] acetate
CID 162100444
acetyl 5-amino-2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]pent-4-ynoate
CID 23215209
ethyl 3-[3-[[(3S)-1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]phenyl]propanoate
CID 70086766
[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine
CID 168590474
2-[4-[1-(4-methanehydrazonoylbenzoyl)pyrrolidine-2-carbonyl]phenoxy]acetic acid
CID 70058086

Frequently Asked Questions

What is the IUPAC name of [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate?
The IUPAC name of [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate (CID 67651505) is [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate is CC(=O)C(N)(CC#C[Si](C)(C)C)C(=O)OC1CCCN(c2ccc(C=NN)cc2)C1=O.
What is the InChIKey of [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate?
The InChIKey is HLKZUHIVHDJOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4Si/c1-16(27)22(23,12-6-14-31(2,3)4)21(29)30-19-7-5-13-26(20(19)28)18-10-8-17(9-11-18)15-25-24/h8-11,15,19H,5,7,12-13,23-24H2,1-4H3.
What are the key properties of [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate?
[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate has a molecular weight of 442.59 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl] 2-acetyl-2-amino-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 67651505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).