2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

C24H31N3O4 — CID 9092899

IUPAC2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O
InChIInChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28)
InChIKeyIUVYMDSAXIXSSX-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 9092899) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID9092899
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O
InChIInChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28)
InChIKeyIUVYMDSAXIXSSX-UHFFFAOYSA-N
XLogP2.64
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(3,4-dimethoxyphenyl)-[4-[(3-propan-2-yloxyphenyl)methyl]piperazin-1-yl]methanone
CID 55832003
4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoic acid
CID 22265114
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
CID 2987165
(4-bromo-3,5-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31332615
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 51279436
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (CID 9092899) is 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is COc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is IUVYMDSAXIXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28).
What are the key properties of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 9092899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).