1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one

C14H25N3O2 — CID 63634097

IUPAC1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
SMILESCCC1CN(CC(=O)N2CCC(=O)CC2)CCN1C
InChIInChI=1S/C14H25N3O2/c1-3-12-10-16(9-8-15(12)2)11-14(19)17-6-4-13(18)5-7-17/h12H,3-11H2,1-2H3
InChIKeyWHCDSAKFNMBBGL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one

1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one (PubChem CID 63634097) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
PubChem CID63634097
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
SMILESCCC1CN(CC(=O)N2CCC(=O)CC2)CCN1C
InChIInChI=1S/C14H25N3O2/c1-3-12-10-16(9-8-15(12)2)11-14(19)17-6-4-13(18)5-7-17/h12H,3-11H2,1-2H3
InChIKeyWHCDSAKFNMBBGL-UHFFFAOYSA-N
XLogP0.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 114218586
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63635976
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
CID 63633398
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63633578
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63634616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one (CID 63634097) is 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one is CCC1CN(CC(=O)N2CCC(=O)CC2)CCN1C.
What is the InChIKey of 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The InChIKey is WHCDSAKFNMBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-12-10-16(9-8-15(12)2)11-14(19)17-6-4-13(18)5-7-17/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one has a molecular weight of 267.37 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 63634097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).