N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide

C13H27N3O — CID 144757888

IUPACN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14/h12H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIZENSQIOJHJFMW-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide

N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide (PubChem CID 144757888) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
PubChem CID144757888
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14/h12H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIZENSQIOJHJFMW-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide (CID 144757888) is N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC(C)(C)CCN)CC1.
What is the InChIKey of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide?
The InChIKey is IZENSQIOJHJFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14/h12H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide?
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide 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 N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 144757888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).