4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide

C13H27N3O — CID 115156994

IUPAC4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCN1CCCC(N(C)C(=O)C(C)(C)CCN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,7-8-14)12(17)16(4)11-6-5-9-15(3)10-11/h11H,5-10,14H2,1-4H3
InChIKeyJTVGHNHYSDQSGE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide

4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide (PubChem CID 115156994) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
PubChem CID115156994
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCN1CCCC(N(C)C(=O)C(C)(C)CCN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,7-8-14)12(17)16(4)11-6-5-9-15(3)10-11/h11H,5-10,14H2,1-4H3
InChIKeyJTVGHNHYSDQSGE-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
3-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)-3-sulfanylidenepropanamide
CID 55084851
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
CID 115174806
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide?
The IUPAC name of 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide (CID 115156994) is 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide is CN1CCCC(N(C)C(=O)C(C)(C)CCN)C1.
What is the InChIKey of 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide?
The InChIKey is JTVGHNHYSDQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,7-8-14)12(17)16(4)11-6-5-9-15(3)10-11/h11H,5-10,14H2,1-4H3.
What are the key properties of 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide?
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 115156994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).