5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

C19H32N4O3 — CID 24817736

IUPAC5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-2-20-11-13-22(14-12-20)19(26)16-6-7-18(25)23(15-16)10-4-9-21-8-3-5-17(21)24/h16H,2-15H2,1H3
InChIKeyJIKIFBHRGDDLDJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.40
Rot. Bonds6

About 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (PubChem CID 24817736) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
PubChem CID24817736
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)CC1
InChIInChI=1S/C19H32N4O3/c1-2-20-11-13-22(14-12-20)19(26)16-6-7-18(25)23(15-16)10-4-9-21-8-3-5-17(21)24/h16H,2-15H2,1H3
InChIKeyJIKIFBHRGDDLDJ-UHFFFAOYSA-N
XLogP0.40
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (CID 24817736) is 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is CCN1CCN(C(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The InChIKey is JIKIFBHRGDDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-2-20-11-13-22(14-12-20)19(26)16-6-7-18(25)23(15-16)10-4-9-21-8-3-5-17(21)24/h16H,2-15H2,1H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is sourced from PubChem (CID 24817736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).