N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

C21H31N3O3 — CID 120734212

IUPACN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C21H31N3O3/c1-15(23-21(26)16-7-3-4-8-16)13-20(25)24-12-11-22-14-18(24)17-9-5-6-10-19(17)27-2/h5-6,9-10,15-16,18,22H,3-4,7-8,11-14H2,1-2H3,(H,23,26)
InChIKeySSQSQXPFMPGXNM-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.25
Rot. Bonds6

About N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 120734212) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID120734212
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C21H31N3O3/c1-15(23-21(26)16-7-3-4-8-16)13-20(25)24-12-11-22-14-18(24)17-9-5-6-10-19(17)27-2/h5-6,9-10,15-16,18,22H,3-4,7-8,11-14H2,1-2H3,(H,23,26)
InChIKeySSQSQXPFMPGXNM-UHFFFAOYSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 120734212) is N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is COc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is SSQSQXPFMPGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(23-21(26)16-7-3-4-8-16)13-20(25)24-12-11-22-14-18(24)17-9-5-6-10-19(17)27-2/h5-6,9-10,15-16,18,22H,3-4,7-8,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 120734212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).