3-methyl-N-(2-methylpiperidin-4-yl)hexanamide

C13H26N2O — CID 120598747

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
SMILESCCCC(C)CC(=O)NC1CCNC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-10(2)8-13(16)15-12-6-7-14-11(3)9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyITPVNGOYZRZMNY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide

3-methyl-N-(2-methylpiperidin-4-yl)hexanamide (PubChem CID 120598747) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
PubChem CID120598747
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
SMILESCCCC(C)CC(=O)NC1CCNC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-10(2)8-13(16)15-12-6-7-14-11(3)9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyITPVNGOYZRZMNY-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-piperidin-4-ylhexanamide;hydrochloride
CID 119388134
N-cyclopropyl-3-methylhexanamide
CID 155359047
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995576
4-(dipropylamino)-N-(2-methylpiperidin-4-yl)butanamide;dihydrochloride
CID 120602359
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide (CID 120598747) is 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide is CCCC(C)CC(=O)NC1CCNC(C)C1.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide?
The InChIKey is ITPVNGOYZRZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-10(2)8-13(16)15-12-6-7-14-11(3)9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide?
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)hexanamide is sourced from PubChem (CID 120598747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).