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

C18H34N4O — CID 57442419

IUPAC1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-16(2)20-11-13-22(14-12-20)18(23)15-19-9-5-17(6-10-19)21-7-3-4-8-21/h16-17H,3-15H2,1-2H3
InChIKeyZESIRYDEBLIAQR-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.10
Rot. Bonds4

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

1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 57442419) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID57442419
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-16(2)20-11-13-22(14-12-20)18(23)15-19-9-5-17(6-10-19)21-7-3-4-8-21/h16-17H,3-15H2,1-2H3
InChIKeyZESIRYDEBLIAQR-UHFFFAOYSA-N
XLogP1.10
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 57442419) is 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is ZESIRYDEBLIAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-16(2)20-11-13-22(14-12-20)18(23)15-19-9-5-17(6-10-19)21-7-3-4-8-21/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 322.50 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 57442419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).