tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate

C17H26N4O3 — CID 155282262

IUPACtert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
SMILESCc1nc(N)ccc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-11-13(5-6-14(18)19-11)15(22)21-9-7-12(8-10-21)20-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H2,18,19)(H,20,23)
InChIKeyRICOVMHVALWLFR-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate (PubChem CID 155282262) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
PubChem CID155282262
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
SMILESCc1nc(N)ccc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-11-13(5-6-14(18)19-11)15(22)21-9-7-12(8-10-21)20-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H2,18,19)(H,20,23)
InChIKeyRICOVMHVALWLFR-UHFFFAOYSA-N
XLogP2.10
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
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3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]carbamate
CID 51116269
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55972015
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate
CID 55869656
tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
CID 167977498
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate (CID 155282262) is tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate is Cc1nc(N)ccc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is RICOVMHVALWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-13(5-6-14(18)19-11)15(22)21-9-7-12(8-10-21)20-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H2,18,19)(H,20,23).
What are the key properties of tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.10, 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-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 155282262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).