1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone

C21H42N4O — CID 57442648

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C21H42N4O/c1-5-10-24(11-6-2)20-8-12-22(13-9-20)18-21(26)25-16-14-23(15-17-25)19(4)7-3/h19-20H,5-18H2,1-4H3
InChIKeyYXEOAPZCFBROTJ-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.52
Rot. Bonds9

About 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone (PubChem CID 57442648) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
PubChem CID57442648
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)CC)CC2)CC1
InChIInChI=1S/C21H42N4O/c1-5-10-24(11-6-2)20-8-12-22(13-9-20)18-21(26)25-16-14-23(15-17-25)19(4)7-3/h19-20H,5-18H2,1-4H3
InChIKeyYXEOAPZCFBROTJ-UHFFFAOYSA-N
XLogP2.52
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.52
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-(dipropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone (CID 57442648) is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone is CCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)CC)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
The InChIKey is YXEOAPZCFBROTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-5-10-24(11-6-2)20-8-12-22(13-9-20)18-21(26)25-16-14-23(15-17-25)19(4)7-3/h19-20H,5-18H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone has a molecular weight of 366.59 g/mol, XLogP of 2.52, 9 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-(dipropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 57442648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).