N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide

C16H21ClN4O2 — CID 84590590

IUPACN-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C2CCNC2=O)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN4O2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)14-5-6-18-16(14)23/h1-4,14H,5-11H2,(H,18,23)(H,19,22)
InChIKeyMZQQAJXANJWVAF-UHFFFAOYSA-N
MW336.82 g/mol
LogP0.78
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 84590590) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide
PubChem CID84590590
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C2CCNC2=O)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN4O2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)14-5-6-18-16(14)23/h1-4,14H,5-11H2,(H,18,23)(H,19,22)
InChIKeyMZQQAJXANJWVAF-UHFFFAOYSA-N
XLogP0.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide (CID 84590590) is N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(C2CCNC2=O)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is MZQQAJXANJWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-12-1-3-13(4-2-12)19-15(22)11-20-7-9-21(10-8-20)14-5-6-18-16(14)23/h1-4,14H,5-11H2,(H,18,23)(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 336.82 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 84590590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).