(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone

C16H31N3O — CID 176984609

IUPAC(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-14(3)17-10-12-19(13-11-17)16(20)18-8-6-15(5-2)7-9-18/h14-15H,4-13H2,1-3H3
InChIKeyZMGVOEIABWEGPL-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.64
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone

(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 176984609) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID176984609
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-14(3)17-10-12-19(13-11-17)16(20)18-8-6-15(5-2)7-9-18/h14-15H,4-13H2,1-3H3
InChIKeyZMGVOEIABWEGPL-UHFFFAOYSA-N
XLogP2.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
CID 176984953
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62783542
2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 62310904
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63074579
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
3-(4-butan-2-ylpiperazin-1-yl)-2-methylbutanoic acid
CID 79407769
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone (CID 176984609) is (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)N2CCN(C(C)CC)CC2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is ZMGVOEIABWEGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-14(3)17-10-12-19(13-11-17)16(20)18-8-6-15(5-2)7-9-18/h14-15H,4-13H2,1-3H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 176984609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).