2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C18H34N4O2 — CID 57442411

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-16(2)20-7-9-22(10-8-20)18(23)15-19-5-3-17(4-6-19)21-11-13-24-14-12-21/h16-17H,3-15H2,1-2H3
InChIKeyQKLHTIRPJMNYTQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.34
Rot. Bonds4

About 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442411) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442411
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-16(2)20-7-9-22(10-8-20)18(23)15-19-5-3-17(4-6-19)21-11-13-24-14-12-21/h16-17H,3-15H2,1-2H3
InChIKeyQKLHTIRPJMNYTQ-UHFFFAOYSA-N
XLogP0.34
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 56352574
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
CID 141160123
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]ethanone
CID 121262
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-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442411) is 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QKLHTIRPJMNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-16(2)20-7-9-22(10-8-20)18(23)15-19-5-3-17(4-6-19)21-11-13-24-14-12-21/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 338.50 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).