1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one

C15H28N2O2 — CID 102957327

IUPAC1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCOC1CN(C(=O)CCC2CCCCN2)CCC1C
InChIInChI=1S/C15H28N2O2/c1-12-8-10-17(11-14(12)19-2)15(18)7-6-13-5-3-4-9-16-13/h12-14,16H,3-11H2,1-2H3
InChIKeySZZWOJIIMODRMD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one

1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 102957327) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID102957327
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCOC1CN(C(=O)CCC2CCCCN2)CCC1C
InChIInChI=1S/C15H28N2O2/c1-12-8-10-17(11-14(12)19-2)15(18)7-6-13-5-3-4-9-16-13/h12-14,16H,3-11H2,1-2H3
InChIKeySZZWOJIIMODRMD-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-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

1-(3,5-Dimethylmorpholin-4-yl)-3-piperidin-4-ylpropan-1-one
CID 120150449
N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 48431946
(2S)-2-methyl-N-(oxan-4-ylmethyl)-3-[(2S)-piperidin-2-yl]propanamide
CID 70309194
6-Methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one
CID 153405004
4-[4-(2-Propan-2-ylmorpholin-4-yl)pentyl]piperidin-2-one
CID 175638489
4-[5-(2-Methylmorpholin-4-yl)hexan-2-yl]piperidin-2-one
CID 175639258
1-(1-decanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 42881445
1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 42881446
1-(2,6-Dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43151347
1-(2-Methylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43151351
(2,5-Dimethylmorpholin-4-yl)-piperidin-4-ylmethanone
CID 43544726
1-(2,5-Dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43544912

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one (CID 102957327) is 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one is COC1CN(C(=O)CCC2CCCCN2)CCC1C.
What is the InChIKey of 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is SZZWOJIIMODRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-8-10-17(11-14(12)19-2)15(18)7-6-13-5-3-4-9-16-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 102957327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).