2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide

C16H29N3O — CID 104596521

IUPAC2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)C1(C)CCCCN1)C2
InChIInChI=1S/C16H29N3O/c1-16(7-3-4-8-18-16)15(20)17-11-12-9-13-5-6-14(10-12)19(13)2/h12-14,18H,3-11H2,1-2H3,(H,17,20)
InChIKeyUBYBDTYOZKJNBJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide

2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 104596521) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
PubChem CID104596521
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)C1(C)CCCCN1)C2
InChIInChI=1S/C16H29N3O/c1-16(7-3-4-8-18-16)15(20)17-11-12-9-13-5-6-14(10-12)19(13)2/h12-14,18H,3-11H2,1-2H3,(H,17,20)
InChIKeyUBYBDTYOZKJNBJ-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107295961
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 54898996
(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104913494
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
CID 114169272
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54898994
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide (CID 104596521) is 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide is CN1C2CCC1CC(CNC(=O)C1(C)CCCCN1)C2.
What is the InChIKey of 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is UBYBDTYOZKJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(7-3-4-8-18-16)15(20)17-11-12-9-13-5-6-14(10-12)19(13)2/h12-14,18H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide?
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 104596521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).