2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone

C16H31N3O — CID 120705054

IUPAC2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(CCN2CCCCC2C)CC1
InChIInChI=1S/C16H31N3O/c1-14-5-3-4-9-18(14)10-6-15-7-11-19(12-8-15)16(20)13-17-2/h14-15,17H,3-13H2,1-2H3
InChIKeyMIVLSKAQARUDSK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone

2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 120705054) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID120705054
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(CCN2CCCCC2C)CC1
InChIInChI=1S/C16H31N3O/c1-14-5-3-4-9-18(14)10-6-15-7-11-19(12-8-15)16(20)13-17-2/h14-15,17H,3-13H2,1-2H3
InChIKeyMIVLSKAQARUDSK-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 97092346
[(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
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
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 146064318
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
CID 164535566
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
4-[[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029347

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone (CID 120705054) is 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC(CCN2CCCCC2C)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is MIVLSKAQARUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14-5-3-4-9-18(14)10-6-15-7-11-19(12-8-15)16(20)13-17-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 120705054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).