N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide

C22H33N3O3 — CID 51299600

IUPACN-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1cc(OCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)ccc1C(C)C
InChIInChI=1S/C22H33N3O3/c1-15(2)20-8-7-19(13-16(20)3)28-14-21(26)25-11-9-24(10-12-25)17(4)22(27)23-18-5-6-18/h7-8,13,15,17-18H,5-6,9-12,14H2,1-4H3,(H,23,27)
InChIKeySAYMOFNWXZAOPD-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.31
Rot. Bonds7

About N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide (PubChem CID 51299600) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
PubChem CID51299600
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1cc(OCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)ccc1C(C)C
InChIInChI=1S/C22H33N3O3/c1-15(2)20-8-7-19(13-16(20)3)28-14-21(26)25-11-9-24(10-12-25)17(4)22(27)23-18-5-6-18/h7-8,13,15,17-18H,5-6,9-12,14H2,1-4H3,(H,23,27)
InChIKeySAYMOFNWXZAOPD-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299605
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014558
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 55904195
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240
2-(3-methyl-4-propan-2-ylphenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997821
N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
CID 51329084
N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide (CID 51299600) is N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide is Cc1cc(OCC(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)ccc1C(C)C.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide?
The InChIKey is SAYMOFNWXZAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-15(2)20-8-7-19(13-16(20)3)28-14-21(26)25-11-9-24(10-12-25)17(4)22(27)23-18-5-6-18/h7-8,13,15,17-18H,5-6,9-12,14H2,1-4H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide has a molecular weight of 387.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51299600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).