N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide

C18H25N3O3 — CID 78831379

IUPACN-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-13(18(24)19-15-4-5-15)20-8-10-21(11-9-20)17(23)12-14-2-6-16(22)7-3-14/h2-3,6-7,13,15,22H,4-5,8-12H2,1H3,(H,19,24)
InChIKeyBKXXWJSXKIQWNF-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.75
Rot. Bonds5

About N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 78831379) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID78831379
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H25N3O3/c1-13(18(24)19-15-4-5-15)20-8-10-21(11-9-20)17(23)12-14-2-6-16(22)7-3-14/h2-3,6-7,13,15,22H,4-5,8-12H2,1H3,(H,19,24)
InChIKeyBKXXWJSXKIQWNF-UHFFFAOYSA-N
XLogP0.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
CID 98445857
N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 86918070
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
CID 51107206
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide (CID 78831379) is N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is BKXXWJSXKIQWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(18(24)19-15-4-5-15)20-8-10-21(11-9-20)17(23)12-14-2-6-16(22)7-3-14/h2-3,6-7,13,15,22H,4-5,8-12H2,1H3,(H,19,24).
What are the key properties of N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).