2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one

C15H28N2O2 — CID 43747736

IUPAC2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3
InChIKeyRWEKDRZKGXCQCP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds3

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

2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 43747736) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID43747736
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3
InChIKeyRWEKDRZKGXCQCP-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
N,N-dimethyl-4-(oxan-3-ylmethylamino)piperidine-1-carboxamide
CID 83202568
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 115709686
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664
1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 113415221
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 106637739

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one (CID 43747736) is 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(NCC2CCOC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is RWEKDRZKGXCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 3 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-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).