2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one

C15H28N2O2 — CID 115335773

IUPAC2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC1OCCC1NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-11-13(7-10-19-11)16-12-5-8-17(9-6-12)14(18)15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyZYRYWKAIAPJZOS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds2

About 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 115335773) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID115335773
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC1OCCC1NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-11-13(7-10-19-11)16-12-5-8-17(9-6-12)14(18)15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyZYRYWKAIAPJZOS-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]methanone
CID 115335726
1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
CID 115893973
N-cyclohexyl-4-[[(2R,3R)-2-methyloxolan-3-yl]amino]piperidine-1-carboxamide
CID 97070585
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115335740
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 79458862
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one (CID 115335773) is 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one is CC1OCCC1NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is ZYRYWKAIAPJZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-13(7-10-19-11)16-12-5-8-17(9-6-12)14(18)15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 115335773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).