3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one

C17H32N2O2 — CID 97092346

IUPAC3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C17H32N2O2/c1-15-5-3-4-10-18(15)11-6-16-7-12-19(13-8-16)17(20)9-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyIOICSJXRRNJGTG-OAHLLOKOSA-N
MW296.45 g/mol
LogP2.53
Rot. Bonds6

About 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one (PubChem CID 97092346) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
PubChem CID97092346
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C17H32N2O2/c1-15-5-3-4-10-18(15)11-6-16-7-12-19(13-8-16)17(20)9-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyIOICSJXRRNJGTG-OAHLLOKOSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 120705054
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
CID 99849066
(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
CID 129425239
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
N-methyl-3-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]propanamide
CID 71916708
1-[2-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97023506
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one (CID 97092346) is 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1.
What is the InChIKey of 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is IOICSJXRRNJGTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-15-5-3-4-10-18(15)11-6-16-7-12-19(13-8-16)17(20)9-14-21-2/h15-16H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97092346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).