2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

C18H20N4O3 — CID 34599898

IUPAC2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1
InChIInChI=1S/C18H20N4O3/c1-25-15-4-2-3-13(9-15)10-17(23)21-14-5-6-16(20-11-14)22-8-7-19-18(24)12-22/h2-6,9,11H,7-8,10,12H2,1H3,(H,19,24)(H,21,23)
InChIKeyCVQCMLJACHJECR-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.21
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 34599898) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID34599898
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1
InChIInChI=1S/C18H20N4O3/c1-25-15-4-2-3-13(9-15)10-17(23)21-14-5-6-16(20-11-14)22-8-7-19-18(24)12-22/h2-6,9,11H,7-8,10,12H2,1H3,(H,19,24)(H,21,23)
InChIKeyCVQCMLJACHJECR-UHFFFAOYSA-N
XLogP1.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34588783
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939648
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
CID 72685110
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]urea
CID 47041085
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 38940722

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (CID 34599898) is 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is COc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is CVQCMLJACHJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-15-4-2-3-13(9-15)10-17(23)21-14-5-6-16(20-11-14)22-8-7-19-18(24)12-22/h2-6,9,11H,7-8,10,12H2,1H3,(H,19,24)(H,21,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 34599898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).