tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate

C16H27N5O2 — CID 77473382

IUPACtert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCNc1nccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C16H27N5O2/c1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyUMBZWFSKECNLJX-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate (PubChem CID 77473382) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
PubChem CID77473382
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Nametert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCNc1nccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C16H27N5O2/c1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyUMBZWFSKECNLJX-UHFFFAOYSA-N
XLogP2.20
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
CID 70975709
tert-butyl N-[(3R)-1-(2-oxo-1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate
CID 161299292
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[(3S)-1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
CID 91506279
tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
CID 123942121
tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133293124
tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
CID 122142851
tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
CID 123553559
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate (CID 77473382) is tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate is CNc1nccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1N.
What is the InChIKey of tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate?
The InChIKey is UMBZWFSKECNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate has a molecular weight of 321.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 77473382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).