1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

C16H31N3O — CID 168881883

IUPAC1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCNCCC1CCCN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-17-8-5-15-4-3-9-19(13-15)16(20)12-14-6-10-18(2)11-7-14/h14-15,17H,3-13H2,1-2H3
InChIKeyQPAWEYCOWPYTPL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 168881883) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID168881883
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCNCCC1CCCN(C(=O)CC2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-17-8-5-15-4-3-9-19(13-15)16(20)12-14-6-10-18(2)11-7-14/h14-15,17H,3-13H2,1-2H3
InChIKeyQPAWEYCOWPYTPL-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83135935
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-2-cyclopentylethanone
CID 114801292
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 168881883) is 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is CNCCC1CCCN(C(=O)CC2CCN(C)CC2)C1.
What is the InChIKey of 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is QPAWEYCOWPYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-8-5-15-4-3-9-19(13-15)16(20)12-14-6-10-18(2)11-7-14/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 168881883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).