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

C19H36N4O — CID 58826245

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-17(2)21-12-14-23(15-13-21)19(24)16-20-10-6-18(7-11-20)22-8-4-3-5-9-22/h17-18H,3-16H2,1-2H3
InChIKeyIRSCHLSBAMGFNJ-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.49
Rot. Bonds4

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

2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 58826245) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID58826245
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-17(2)21-12-14-23(15-13-21)19(24)16-20-10-6-18(7-11-20)22-8-4-3-5-9-22/h17-18H,3-16H2,1-2H3
InChIKeyIRSCHLSBAMGFNJ-UHFFFAOYSA-N
XLogP1.49
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 58826245) is 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IRSCHLSBAMGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-17(2)21-12-14-23(15-13-21)19(24)16-20-10-6-18(7-11-20)22-8-4-3-5-9-22/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 336.52 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).