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

C17H30N4O2 — CID 143755854

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16;1-2/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20);1-2H3
InChIKeyKQJQCXVWZAXGMR-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.18
Rot. Bonds2

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

tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane (PubChem CID 143755854) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
PubChem CID143755854
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16;1-2/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20);1-2H3
InChIKeyKQJQCXVWZAXGMR-UHFFFAOYSA-N
XLogP3.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[1-(3-amino-4-pyridinyl)-6-methylpiperidin-3-yl]carbamate
CID 71007348
tert-butyl N-[(3S,5R)-1-(3-amino-4-pyridinyl)-5-iodopiperidin-3-yl]carbamate
CID 89152155
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
CID 77419825
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane (CID 143755854) is tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane is CC.CC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane?
The InChIKey is KQJQCXVWZAXGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2H6/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16;1-2/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20);1-2H3.
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane?
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane has a molecular weight of 322.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane is sourced from PubChem (CID 143755854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).