N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide

C13H26N2O2 — CID 65049268

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
SMILESCOCC(NC(=O)C1NCCCC1C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)11(8-17-4)15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyNNTQXIUUSZYKDM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide

N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide (PubChem CID 65049268) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
PubChem CID65049268
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
SMILESCOCC(NC(=O)C1NCCCC1C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)11(8-17-4)15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyNNTQXIUUSZYKDM-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
CID 107071163
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide (CID 65049268) is N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide is COCC(NC(=O)C1NCCCC1C)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide?
The InChIKey is NNTQXIUUSZYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)11(8-17-4)15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide?
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 65049268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).