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

C15H24N4O2 — CID 59332173

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20)
InChIKeyPCNWTXFOPNURHW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds2

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

tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate (PubChem CID 59332173) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
PubChem CID59332173
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20)
InChIKeyPCNWTXFOPNURHW-UHFFFAOYSA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
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;ethane
CID 143755854
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)-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 N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
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
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate (CID 59332173) is tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate is 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?
The InChIKey is PCNWTXFOPNURHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)18-11-5-8-19(9-6-11)13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9,16H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 59332173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).