2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide

C12H25N3O — CID 78986831

IUPAC2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)14-10-6-5-7-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyCFBVWZYPNVGIMW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds3

About 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide

2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 78986831) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID78986831
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)14-10-6-5-7-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyCFBVWZYPNVGIMW-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 113228751
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
2-amino-2-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 61212019
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62781090
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
2-(tert-butylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 78986739
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115164768
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
2-(tert-butylamino)-N-(thian-3-yl)acetamide
CID 115674777

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide (CID 78986831) is 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(NC(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is CFBVWZYPNVGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)13-8-11(16)14-10-6-5-7-15(4)9-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide?
2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 78986831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).