N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide

C24H27N3O5 — CID 55800006

IUPACN-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-17-2-6-20(7-3-17)32-21-10-8-19(9-11-21)31-16-22(28)26-12-14-27(15-13-26)24(30)23(29)25-18-4-5-18/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,25,29)
InChIKeySVQXDZRYZMRLAQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.12
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 55800006) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID55800006
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-17-2-6-20(7-3-17)32-21-10-8-19(9-11-21)31-16-22(28)26-12-14-27(15-13-26)24(30)23(29)25-18-4-5-18/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,25,29)
InChIKeySVQXDZRYZMRLAQ-UHFFFAOYSA-N
XLogP2.12
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548756
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55493171
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide (CID 55800006) is N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide is Cc1ccc(Oc2ccc(OCC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is SVQXDZRYZMRLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-17-2-6-20(7-3-17)32-21-10-8-19(9-11-21)31-16-22(28)26-12-14-27(15-13-26)24(30)23(29)25-18-4-5-18/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 437.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 55800006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).