tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate

C17H28N4O2 — CID 107243166

IUPACtert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
SMILESCN1CCCC(CNc2ccc(NC(=O)OC(C)(C)C)nc2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-8-7-14(11-19-15)18-10-13-6-5-9-21(4)12-13/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,20,22)
InChIKeyZGHMWOFXHBLDFP-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate (PubChem CID 107243166) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
PubChem CID107243166
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
SMILESCN1CCCC(CNc2ccc(NC(=O)OC(C)(C)C)nc2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-8-7-14(11-19-15)18-10-13-6-5-9-21(4)12-13/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,20,22)
InChIKeyZGHMWOFXHBLDFP-UHFFFAOYSA-N
XLogP3.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
N-[6-(methylamino)-3-pyridinyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115274703
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate (CID 107243166) is tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate is CN1CCCC(CNc2ccc(NC(=O)OC(C)(C)C)nc2)C1.
What is the InChIKey of tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is ZGHMWOFXHBLDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-8-7-14(11-19-15)18-10-13-6-5-9-21(4)12-13/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3,(H,19,20,22).
What are the key properties of tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 107243166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).