tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane

C19H34N4O2 — CID 158140045

IUPACtert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane
SMILESC.CNC1[C@H](C)CN(c2ccncc2NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C18H30N4O2.CH4/c1-12-10-22(11-13(2)16(12)19-6)15-7-8-20-9-14(15)21-17(23)24-18(3,4)5;/h7-9,12-13,16,19H,10-11H2,1-6H3,(H,21,23);1H4/t12-,13+,16?;
InChIKeyFTUZZEVAZPJHSY-VDZMBQAVSA-N
MW350.51 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane

tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane (PubChem CID 158140045) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane
PubChem CID158140045
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Nametert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane
SMILESC.CNC1[C@H](C)CN(c2ccncc2NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C18H30N4O2.CH4/c1-12-10-22(11-13(2)16(12)19-6)15-7-8-20-9-14(15)21-17(23)24-18(3,4)5;/h7-9,12-13,16,19H,10-11H2,1-6H3,(H,21,23);1H4/t12-,13+,16?;
InChIKeyFTUZZEVAZPJHSY-VDZMBQAVSA-N
XLogP3.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane with MolForge

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Related Compounds

tert-butyl N-[4-[(3S,4S,5R)-4-(methoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 86726959
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 123762146
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl (2S)-4-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 59332261
tert-butyl N-[4-[(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144796887
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
tert-butyl N-[1-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 87669835
tert-butyl N-[(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[3-[(2-cyclopropylfuro[2,3-b]pyridine-6-carbonyl)amino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 131745325
tert-butyl N-[(3S,5R)-1-(3-amino-4-pyridinyl)-5-iodopiperidin-3-yl]carbamate
CID 89152155
[1-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl] methanesulfonate
CID 90015132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane?
The IUPAC name of tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane (CID 158140045) is tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane.
What is the SMILES notation for tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane?
The canonical SMILES for tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane is C.CNC1[C@H](C)CN(c2ccncc2NC(=O)OC(C)(C)C)C[C@@H]1C.
What is the InChIKey of tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane?
The InChIKey is FTUZZEVAZPJHSY-VDZMBQAVSA-N. The full InChI is InChI=1S/C18H30N4O2.CH4/c1-12-10-22(11-13(2)16(12)19-6)15-7-8-20-9-14(15)21-17(23)24-18(3,4)5;/h7-9,12-13,16,19H,10-11H2,1-6H3,(H,21,23);1H4/t12-,13+,16?;.
What are the key properties of tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane?
tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane has a molecular weight of 350.51 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane is sourced from PubChem (CID 158140045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).