(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate

C59H85N17O9Si — CID 161116163

IUPAC(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(N)nc2)C(=O)C1.CN1CCN(c2ccc(N)nc2)C(=O)C1.C[C@@H]1CC(=O)N(c2ccc(N)nc2)C1.Nc1ccc(N2CCOCC2=O)cn1
InChIInChI=1S/C16H27N3O2Si.C14H20N4O3.C10H14N4O.C10H13N3O.C9H11N3O2/c1-16(2,3)22(4,5)21-13-8-9-19(15(20)10-13)12-6-7-14(17)18-11-12;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)10-4-5-11(15)16-8-10;1-13-4-5-14(10(15)7-13)8-2-3-9(11)12-6-8;1-7-4-10(14)13(6-7)8-2-3-9(11)12-5-8;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h6-7,11,13H,8-10H2,1-5H3,(H2,17,18);4-5,8H,6-7,9H2,1-3H3,(H2,15,16);2-3,6H,4-5,7H2,1H3,(H2,11,12);2-3,5,7H,4,6H2,1H3,(H2,11,12);1-2,5H,3-4,6H2,(H2,10,11)/t13-;;;7-;/m0..1./s1
InChIKeyUKINWIRYWHBTHC-FMKOOURKSA-N
MW1204.52 g/mol
LogP5.43
Rot. Bonds7

About (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate

(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate (PubChem CID 161116163) has the molecular formula C59H85N17O9Si and a molecular weight of 1204.52 g/mol. Its IUPAC name is (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Name(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate
PubChem CID161116163
Molecular FormulaC59H85N17O9Si
Molecular Weight1204.52 g/mol
Exact Mass1203.65
IUPAC Name(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(N)nc2)C(=O)C1.CN1CCN(c2ccc(N)nc2)C(=O)C1.C[C@@H]1CC(=O)N(c2ccc(N)nc2)C1.Nc1ccc(N2CCOCC2=O)cn1
InChIInChI=1S/C16H27N3O2Si.C14H20N4O3.C10H14N4O.C10H13N3O.C9H11N3O2/c1-16(2,3)22(4,5)21-13-8-9-19(15(20)10-13)12-6-7-14(17)18-11-12;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)10-4-5-11(15)16-8-10;1-13-4-5-14(10(15)7-13)8-2-3-9(11)12-6-8;1-7-4-10(14)13(6-7)8-2-3-9(11)12-5-8;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h6-7,11,13H,8-10H2,1-5H3,(H2,17,18);4-5,8H,6-7,9H2,1-3H3,(H2,15,16);2-3,6H,4-5,7H2,1H3,(H2,11,12);2-3,5,7H,4,6H2,1H3,(H2,11,12);1-2,5H,3-4,6H2,(H2,10,11)/t13-;;;7-;/m0..1./s1
InChIKeyUKINWIRYWHBTHC-FMKOOURKSA-N
XLogP5.43
TPSA347.34 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.52
LogP ≤ 55.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate (CID 161116163) is (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(N)nc2)C(=O)C1.CN1CCN(c2ccc(N)nc2)C(=O)C1.C[C@@H]1CC(=O)N(c2ccc(N)nc2)C1.Nc1ccc(N2CCOCC2=O)cn1.
What is the InChIKey of (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is UKINWIRYWHBTHC-FMKOOURKSA-N. The full InChI is InChI=1S/C16H27N3O2Si.C14H20N4O3.C10H14N4O.C10H13N3O.C9H11N3O2/c1-16(2,3)22(4,5)21-13-8-9-19(15(20)10-13)12-6-7-14(17)18-11-12;1-14(2,3)21-13(20)17-6-7-18(12(19)9-17)10-4-5-11(15)16-8-10;1-13-4-5-14(10(15)7-13)8-2-3-9(11)12-6-8;1-7-4-10(14)13(6-7)8-2-3-9(11)12-5-8;10-8-2-1-7(5-11-8)12-3-4-14-6-9(12)13/h6-7,11,13H,8-10H2,1-5H3,(H2,17,18);4-5,8H,6-7,9H2,1-3H3,(H2,15,16);2-3,6H,4-5,7H2,1H3,(H2,11,12);2-3,5,7H,4,6H2,1H3,(H2,11,12);1-2,5H,3-4,6H2,(H2,10,11)/t13-;;;7-;/m0..1./s1.
What are the key properties of (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate?
(4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 1204.52 g/mol, XLogP of 5.43, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(6-amino-3-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one;1-(6-amino-3-pyridinyl)-4-methylpiperazin-2-one;(4R)-1-(6-amino-3-pyridinyl)-4-methylpyrrolidin-2-one;4-(6-amino-3-pyridinyl)morpholin-3-one;tert-butyl 4-(6-amino-3-pyridinyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 161116163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).