N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide

C18H22FN3O2 — CID 31426569

IUPACN-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C18H22FN3O2/c19-15-3-1-2-14(12-15)4-7-18(24)22-10-8-21(9-11-22)13-17(23)20-16-5-6-16/h1-4,7,12,16H,5-6,8-11,13H2,(H,20,23)/b7-4+
InChIKeyDMMWVARTDXUTHL-QPJJXVBHSA-N
MW331.39 g/mol
LogP1.26
Rot. Bonds5

About N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 31426569) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID31426569
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C18H22FN3O2/c19-15-3-1-2-14(12-15)4-7-18(24)22-10-8-21(9-11-22)13-17(23)20-16-5-6-16/h1-4,7,12,16H,5-6,8-11,13H2,(H,20,23)/b7-4+
InChIKeyDMMWVARTDXUTHL-QPJJXVBHSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
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CID 39633785
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33266958
N-cyclopropyl-2-[4-[(Z)-3-naphthalen-1-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 97433139
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259
(E)-3-(3-fluorophenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 8623792
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
(E)-3-(3-fluorophenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 8928608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide (CID 31426569) is N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)/C=C/c2cccc(F)c2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is DMMWVARTDXUTHL-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-3-1-2-14(12-15)4-7-18(24)22-10-8-21(9-11-22)13-17(23)20-16-5-6-16/h1-4,7,12,16H,5-6,8-11,13H2,(H,20,23)/b7-4+.
What are the key properties of N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31426569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).