N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide

C17H31N3O2Si — CID 166280109

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NN2CCC(O[Si](C)(C)C(C)(C)C)CC2)c[nH]1
InChIInChI=1S/C17H31N3O2Si/c1-13-11-14(12-18-13)16(21)19-20-9-7-15(8-10-20)22-23(5,6)17(2,3)4/h11-12,15,18H,7-10H2,1-6H3,(H,19,21)
InChIKeyFUVDRHWQYUVRRB-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide

N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide (PubChem CID 166280109) has the molecular formula C17H31N3O2Si and a molecular weight of 337.54 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide
PubChem CID166280109
Molecular FormulaC17H31N3O2Si
Molecular Weight337.54 g/mol
Exact Mass337.22
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NN2CCC(O[Si](C)(C)C(C)(C)C)CC2)c[nH]1
InChIInChI=1S/C17H31N3O2Si/c1-13-11-14(12-18-13)16(21)19-20-9-7-15(8-10-20)22-23(5,6)17(2,3)4/h11-12,15,18H,7-10H2,1-6H3,(H,19,21)
InChIKeyFUVDRHWQYUVRRB-UHFFFAOYSA-N
XLogP3.45
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 9083903
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
3-amino-5-bromo-4-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]benzoic acid
CID 175120310
[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
CID 171461010
[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone
CID 178181436

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide (CID 166280109) is N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NN2CCC(O[Si](C)(C)C(C)(C)C)CC2)c[nH]1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is FUVDRHWQYUVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2Si/c1-13-11-14(12-18-13)16(21)19-20-9-7-15(8-10-20)22-23(5,6)17(2,3)4/h11-12,15,18H,7-10H2,1-6H3,(H,19,21).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide?
N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 337.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 166280109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).