2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide

C13H26N2O — CID 63009400

IUPAC2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCC(C)NC1
InChIInChI=1S/C13H26N2O/c1-5-13(3,4)12(16)15-9-11-7-6-10(2)14-8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHIMSELVGZJNGHH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds4

About 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide

2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide (PubChem CID 63009400) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide
PubChem CID63009400
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCC(C)NC1
InChIInChI=1S/C13H26N2O/c1-5-13(3,4)12(16)15-9-11-7-6-10(2)14-8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHIMSELVGZJNGHH-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866
3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 103206924
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
CID 120944272
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide (CID 63009400) is 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide is CCC(C)(C)C(=O)NCC1CCC(C)NC1.
What is the InChIKey of 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide?
The InChIKey is HIMSELVGZJNGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(3,4)12(16)15-9-11-7-6-10(2)14-8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide?
2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 63009400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).