1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one

C20H35N3O2 — CID 24719829

IUPAC1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-18(24)21-12-14-22(15-13-21)19(17-9-4-5-10-17)20(25)23-11-7-6-8-16(23)2/h16-17,19H,3-15H2,1-2H3
InChIKeyVRNCHLQSDACJHO-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one

1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one (PubChem CID 24719829) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
PubChem CID24719829
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-18(24)21-12-14-22(15-13-21)19(17-9-4-5-10-17)20(25)23-11-7-6-8-16(23)2/h16-17,19H,3-15H2,1-2H3
InChIKeyVRNCHLQSDACJHO-UHFFFAOYSA-N
XLogP2.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one (CID 24719829) is 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1.
What is the InChIKey of 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
The InChIKey is VRNCHLQSDACJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-18(24)21-12-14-22(15-13-21)19(17-9-4-5-10-17)20(25)23-11-7-6-8-16(23)2/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one?
1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one has a molecular weight of 349.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24719829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).