1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C20H38N4O — CID 58826207

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-3-18(2)22-13-15-24(16-14-22)20(25)17-21-11-7-19(8-12-21)23-9-5-4-6-10-23/h18-19H,3-17H2,1-2H3
InChIKeyQZJLTBSZYUNUKU-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826207) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826207
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-3-18(2)22-13-15-24(16-14-22)20(25)17-21-11-7-19(8-12-21)23-9-5-4-6-10-23/h18-19H,3-17H2,1-2H3
InChIKeyQZJLTBSZYUNUKU-UHFFFAOYSA-N
XLogP1.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826207) is 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CCC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is QZJLTBSZYUNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-3-18(2)22-13-15-24(16-14-22)20(25)17-21-11-7-19(8-12-21)23-9-5-4-6-10-23/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).