4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide

C16H27N3OSi — CID 20728655

IUPAC4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C[Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C16H27N3OSi/c1-4-17-16(20)19-12-10-18(11-13-19)14-21(2,3)15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,17,20)
InChIKeyXCQYGVBEBXBMDD-UHFFFAOYSA-N
MW305.50 g/mol
LogP1.49
Rot. Bonds4

About 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide

4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 20728655) has the molecular formula C16H27N3OSi and a molecular weight of 305.50 g/mol. Its IUPAC name is 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID20728655
Molecular FormulaC16H27N3OSi
Molecular Weight305.50 g/mol
Exact Mass305.19
IUPAC Name4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C[Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C16H27N3OSi/c1-4-17-16(20)19-12-10-18(11-13-19)14-21(2,3)15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,17,20)
InChIKeyXCQYGVBEBXBMDD-UHFFFAOYSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide (CID 20728655) is 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C[Si](C)(C)c2ccccc2)CC1.
What is the InChIKey of 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is XCQYGVBEBXBMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OSi/c1-4-17-16(20)19-12-10-18(11-13-19)14-21(2,3)15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,17,20).
What are the key properties of 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide?
4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 305.50 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(phenyl)silyl]methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 20728655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).