N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide

C12H21N5O — CID 114083895

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CCCNC1CNC(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyMIEBUVLNMVIRQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide (PubChem CID 114083895) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
PubChem CID114083895
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CCCNC1CNC(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyMIEBUVLNMVIRQU-UHFFFAOYSA-N
XLogP0.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide (CID 114083895) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide is CC1(C)CCCNC1CNC(=O)Cn1ccnn1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is MIEBUVLNMVIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 114083895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).