2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H24ClN3O — CID 126798500

IUPAC2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC=Cc2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C18H24ClN3O/c19-16-5-3-15(4-6-16)2-1-9-21-10-12-22(13-11-21)14-18(23)20-17-7-8-17/h1-6,17H,7-14H2,(H,20,23)
InChIKeyILKAFSFUCJHBCV-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 126798500) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID126798500
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC=Cc2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C18H24ClN3O/c19-16-5-3-15(4-6-16)2-1-9-21-10-12-22(13-11-21)14-18(23)20-17-7-8-17/h1-6,17H,7-14H2,(H,20,23)
InChIKeyILKAFSFUCJHBCV-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119043152
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068
(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide
CID 75535664
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 126798500) is 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(CC=Cc2ccc(Cl)cc2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is ILKAFSFUCJHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-16-5-3-15(4-6-16)2-1-9-21-10-12-22(13-11-21)14-18(23)20-17-7-8-17/h1-6,17H,7-14H2,(H,20,23).
What are the key properties of 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 333.86 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 126798500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).