[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

C17H27Cl2N3O2 — CID 119827324

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-2-22-16-8-4-3-7-15(16)19-10-12-20(13-11-19)17(21)14-6-5-9-18-14;;/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3;2*1H/t14-;;/m0../s1
InChIKeySTMKMOWTMAPWRP-UTLKBRERSA-N
MW376.33 g/mol
LogP2.33
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (PubChem CID 119827324) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
PubChem CID119827324
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-2-22-16-8-4-3-7-15(16)19-10-12-20(13-11-19)17(21)14-6-5-9-18-14;;/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3;2*1H/t14-;;/m0../s1
InChIKeySTMKMOWTMAPWRP-UTLKBRERSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
2,5-dihydro-1H-pyrrol-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 154911371
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
CID 54973542
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
[5-(2-chlorophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 74623758
[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 75605805
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (CID 119827324) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The InChIKey is STMKMOWTMAPWRP-UTLKBRERSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-2-22-16-8-4-3-7-15(16)19-10-12-20(13-11-19)17(21)14-6-5-9-18-14;;/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 119827324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).