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

C23H42N4O — CID 58826296

IUPAC2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3
InChIKeyRXUUYKNVJCCBAU-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.66
Rot. Bonds4

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

2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826296) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826296
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3
InChIKeyRXUUYKNVJCCBAU-UHFFFAOYSA-N
XLogP2.66
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 28908527
1-[[1-(3-Amino-5-fluoro-1-hexylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 123656788
1-[[1-(3-Amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 130280123
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone
CID 176558182
2-(3-Methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226820
1-(3,5-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229560
1-(3,5-Dimethylpiperidin-1-yl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
CID 3338710
(1-Butylpiperidin-4-yl)-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 21135909
1-(4-Cyclobutylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethanone
CID 57513904
1-(4-Cyclohexylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 57513905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826296) is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is RXUUYKNVJCCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 390.62 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).