2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C17H24ClN3O2 — CID 51728070

IUPAC2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C[C@H](O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c1-2-7-19-17(23)13-21-10-8-20(9-11-21)12-16(22)14-5-3-4-6-15(14)18/h2-6,16,22H,1,7-13H2,(H,19,23)/t16-/m0/s1
InChIKeyVXSMHNPWNFPYMJ-INIZCTEOSA-N
MW337.85 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 51728070) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID51728070
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C[C@H](O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c1-2-7-19-17(23)13-21-10-8-20(9-11-21)12-16(22)14-5-3-4-6-15(14)18/h2-6,16,22H,1,7-13H2,(H,19,23)/t16-/m0/s1
InChIKeyVXSMHNPWNFPYMJ-INIZCTEOSA-N
XLogP1.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46663083
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46493823
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34922594
2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30738692
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
CID 30662190
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46662988
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 51728070) is 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C[C@H](O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is VXSMHNPWNFPYMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-7-19-17(23)13-21-10-8-20(9-11-21)12-16(22)14-5-3-4-6-15(14)18/h2-6,16,22H,1,7-13H2,(H,19,23)/t16-/m0/s1.
What are the key properties of 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 337.85 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 51728070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).