2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone

C24H44N4O2 — CID 145143464

IUPAC2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone
SMILESCCN(CC(=O)N1CCCCC1)C1CCCCC1N(CC)CC(=O)N1CCCCC1
InChIInChI=1S/C24H44N4O2/c1-3-25(19-23(29)27-15-9-5-10-16-27)21-13-7-8-14-22(21)26(4-2)20-24(30)28-17-11-6-12-18-28/h21-22H,3-20H2,1-2H3
InChIKeyQAMQWMANDUSOJV-UHFFFAOYSA-N
MW420.64 g/mol
LogP2.97
Rot. Bonds8

About 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone

2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone (PubChem CID 145143464) has the molecular formula C24H44N4O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone
PubChem CID145143464
Molecular FormulaC24H44N4O2
Molecular Weight420.64 g/mol
Exact Mass420.35
IUPAC Name2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone
SMILESCCN(CC(=O)N1CCCCC1)C1CCCCC1N(CC)CC(=O)N1CCCCC1
InChIInChI=1S/C24H44N4O2/c1-3-25(19-23(29)27-15-9-5-10-16-27)21-13-7-8-14-22(21)26(4-2)20-24(30)28-17-11-6-12-18-28/h21-22H,3-20H2,1-2H3
InChIKeyQAMQWMANDUSOJV-UHFFFAOYSA-N
XLogP2.97
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-Piperidin-1-yl-1-[4-(2-piperidin-1-yl-acetyl)-piperazin-1-yl]-ethanone
CID 265942
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylidene))bis(1-methyl-, diiodide
CID 121528
1,4-Dicyclohexylpiperazine-2,5-dione
CID 20276902
2-[Cyclohexyl(methyl)amino]-1-piperidin-1-ylethanone
CID 45841231
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 3229542
1-Methyl-4-propylpiperazin-2-one;1-propylpiperidine
CID 144221023
1-(4-methylpiperazin-1-yl)-2-[(3S)-3-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 97803391
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
2-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 24842222
Acetaldehyde;2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 90660619

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone (CID 145143464) is 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone is CCN(CC(=O)N1CCCCC1)C1CCCCC1N(CC)CC(=O)N1CCCCC1.
What is the InChIKey of 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is QAMQWMANDUSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O2/c1-3-25(19-23(29)27-15-9-5-10-16-27)21-13-7-8-14-22(21)26(4-2)20-24(30)28-17-11-6-12-18-28/h21-22H,3-20H2,1-2H3.
What are the key properties of 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone?
2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 420.64 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 145143464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).