2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one

C15H28N2O2 — CID 62386340

IUPAC2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)17-7-3-14(4-8-17)16-11-13-5-9-19-10-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyZZIIYKLILXCMSI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 62386340) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID62386340
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)17-7-3-14(4-8-17)16-11-13-5-9-19-10-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyZZIIYKLILXCMSI-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 82836447
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one (CID 62386340) is 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ZZIIYKLILXCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15(18)17-7-3-14(4-8-17)16-11-13-5-9-19-10-6-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62386340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).