2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one

C22H34N2O3 — CID 108536039

IUPAC2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-6-18(7-2)22(26)24-14-12-23(13-15-24)21(25)17(5)27-20-10-8-19(9-11-20)16(3)4/h8-11,16-18H,6-7,12-15H2,1-5H3
InChIKeyIJRMCBIGLPTSCL-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.68
Rot. Bonds7

About 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one (PubChem CID 108536039) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
PubChem CID108536039
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O3/c1-6-18(7-2)22(26)24-14-12-23(13-15-24)21(25)17(5)27-20-10-8-19(9-11-20)16(3)4/h8-11,16-18H,6-7,12-15H2,1-5H3
InChIKeyIJRMCBIGLPTSCL-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
2-methyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546843
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108546840
1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534785
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108533738
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
CID 108568945
benzyl 4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-carboxylate
CID 108568968
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one (CID 108536039) is 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one?
The InChIKey is IJRMCBIGLPTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-6-18(7-2)22(26)24-14-12-23(13-15-24)21(25)17(5)27-20-10-8-19(9-11-20)16(3)4/h8-11,16-18H,6-7,12-15H2,1-5H3.
What are the key properties of 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one has a molecular weight of 374.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108536039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).