3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C13H27N3O — CID 115740928

IUPAC3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCNC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,14)10-12(17)15-7-4-11-5-8-16(3)9-6-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyVHRXQULDXSTXBY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 115740928) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID115740928
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCNC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-13(2,14)10-12(17)15-7-4-11-5-8-16(3)9-6-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyVHRXQULDXSTXBY-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
CID 114515744
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 115740928) is 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CN1CCC(CCNC(=O)CC(C)(C)N)CC1.
What is the InChIKey of 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is VHRXQULDXSTXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,14)10-12(17)15-7-4-11-5-8-16(3)9-6-11/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 115740928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).