2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C19H28N4O2 — CID 131950761

IUPAC2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCN1CCNC(=O)C1CC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H28N4O2/c1-2-23-11-8-20-19(25)17(23)13-18(24)21-16-7-5-6-15(12-16)14-22-9-3-4-10-22/h5-7,12,17H,2-4,8-11,13-14H2,1H3,(H,20,25)(H,21,24)
InChIKeyQDIQNWJTZXXJGL-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.43
Rot. Bonds6

About 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 131950761) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID131950761
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCN1CCNC(=O)C1CC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H28N4O2/c1-2-23-11-8-20-19(25)17(23)13-18(24)21-16-7-5-6-15(12-16)14-22-9-3-4-10-22/h5-7,12,17H,2-4,8-11,13-14H2,1H3,(H,20,25)(H,21,24)
InChIKeyQDIQNWJTZXXJGL-UHFFFAOYSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 131950761) is 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CCN1CCNC(=O)C1CC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is QDIQNWJTZXXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-23-11-8-20-19(25)17(23)13-18(24)21-16-7-5-6-15(12-16)14-22-9-3-4-10-22/h5-7,12,17H,2-4,8-11,13-14H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 131950761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).