2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide

C17H33N3O2 — CID 120799022

IUPAC2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
SMILESCC1CC(C)CN(CC(C)NC(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C17H33N3O2/c1-12-8-13(2)10-20(9-12)11-14(3)19-17(21)16(18)15-4-6-22-7-5-15/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyOWQDAAZBSCVWMG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.22
Rot. Bonds5

About 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide

2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 120799022) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID120799022
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
SMILESCC1CC(C)CN(CC(C)NC(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C17H33N3O2/c1-12-8-13(2)10-20(9-12)11-14(3)19-17(21)16(18)15-4-6-22-7-5-15/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyOWQDAAZBSCVWMG-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxan-4-yl)piperazin-2-one
CID 62390742
5-Methoxy-2-methyl-1-(3-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 84597162
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
3-Methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one
CID 136535585
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164629321
2-Amino-5-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 81082797
2-Amino-5-methoxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 81102208
2-Amino-2-(oxan-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120783803
2-Amino-2-(oxan-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120783804
2-Amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120785921
2-Amino-2-(oxan-4-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120785922
2-Amino-2-(oxan-4-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone;hydrochloride
CID 120790041

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide (CID 120799022) is 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide is CC1CC(C)CN(CC(C)NC(=O)C(N)C2CCOCC2)C1.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is OWQDAAZBSCVWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12-8-13(2)10-20(9-12)11-14(3)19-17(21)16(18)15-4-6-22-7-5-15/h12-16H,4-11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 311.47 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).