2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

C24H29N3O6 — CID 55851382

IUPAC2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C24H29N3O6/c1-16(2)25-22(29)15-33-20-9-8-17(14-21(20)32-3)23(30)26-10-12-27(13-11-26)24(31)18-6-4-5-7-19(18)28/h4-9,14,16,28H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyJELOGCMSAYWQNY-UHFFFAOYSA-N
MW455.51 g/mol
LogP1.90
Rot. Bonds7

About 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 55851382) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID55851382
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C24H29N3O6/c1-16(2)25-22(29)15-33-20-9-8-17(14-21(20)32-3)23(30)26-10-12-27(13-11-26)24(31)18-6-4-5-7-19(18)28/h4-9,14,16,28H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyJELOGCMSAYWQNY-UHFFFAOYSA-N
XLogP1.90
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 120657442
2-[2-methoxy-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 55781175
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
(2-ethoxyphenyl) 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
CID 55771663
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[3-methoxy-4-(2-methylpropoxy)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 112791438
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 55851382) is 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is COc1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is JELOGCMSAYWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-16(2)25-22(29)15-33-20-9-8-17(14-21(20)32-3)23(30)26-10-12-27(13-11-26)24(31)18-6-4-5-7-19(18)28/h4-9,14,16,28H,10-13,15H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 455.51 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 55851382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).