N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C18H25N3O4 — CID 6467072

IUPACN-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H25N3O4/c1-24-15-6-3-2-5-14(15)19-17(22)13-20-8-10-21(11-9-20)18(23)16-7-4-12-25-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,22)
InChIKeyFKGFBTCKPBHFKU-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.96
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6467072) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6467072
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H25N3O4/c1-24-15-6-3-2-5-14(15)19-17(22)13-20-8-10-21(11-9-20)18(23)16-7-4-12-25-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,22)
InChIKeyFKGFBTCKPBHFKU-UHFFFAOYSA-N
XLogP0.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6467072) is N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is COc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is FKGFBTCKPBHFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-15-6-3-2-5-14(15)19-17(22)13-20-8-10-21(11-9-20)18(23)16-7-4-12-25-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6467072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).