[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone

C17H24ClN3O2 — CID 120738113

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)N2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-20-9-10-23-16(12-20)17(22)21-8-7-19-11-15(21)13-5-3-4-6-14(13)18/h3-6,15-16,19H,2,7-12H2,1H3
InChIKeyDWXQFSJMBIWWBM-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.53
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone (PubChem CID 120738113) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone
PubChem CID120738113
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)N2CCNCC2c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-20-9-10-23-16(12-20)17(22)21-8-7-19-11-15(21)13-5-3-4-6-14(13)18/h3-6,15-16,19H,2,7-12H2,1H3
InChIKeyDWXQFSJMBIWWBM-UHFFFAOYSA-N
XLogP1.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120732756
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310
[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 120739682
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone (CID 120738113) is [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone is CCN1CCOC(C(=O)N2CCNCC2c2ccccc2Cl)C1.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is DWXQFSJMBIWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-20-9-10-23-16(12-20)17(22)21-8-7-19-11-15(21)13-5-3-4-6-14(13)18/h3-6,15-16,19H,2,7-12H2,1H3.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 120738113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).