N-butan-2-yl-2-methylpiperidine-1-carboxamide

C11H22N2O — CID 45366573

IUPACN-butan-2-yl-2-methylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-4-9(2)12-11(14)13-8-6-5-7-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyZXKZYJWICPKDED-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.37
Rot. Bonds2

About N-butan-2-yl-2-methylpiperidine-1-carboxamide

N-butan-2-yl-2-methylpiperidine-1-carboxamide (PubChem CID 45366573) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-butan-2-yl-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methylpiperidine-1-carboxamide
PubChem CID45366573
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-butan-2-yl-2-methylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-4-9(2)12-11(14)13-8-6-5-7-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyZXKZYJWICPKDED-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-2-methylpiperidine-1-carboxamide (CID 45366573) is N-butan-2-yl-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methylpiperidine-1-carboxamide is CCC(C)NC(=O)N1CCCCC1C.
What is the InChIKey of N-butan-2-yl-2-methylpiperidine-1-carboxamide?
The InChIKey is ZXKZYJWICPKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9(2)12-11(14)13-8-6-5-7-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-butan-2-yl-2-methylpiperidine-1-carboxamide?
N-butan-2-yl-2-methylpiperidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 45366573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).