1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

C23H35N3O2 — CID 120740827

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CC2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-2-19-5-7-20(8-6-19)21-18-24-11-12-26(21)22(27)17-23(9-3-4-10-23)25-13-15-28-16-14-25/h5-8,21,24H,2-4,9-18H2,1H3
InChIKeyOBUXJBWZSVGGPN-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 120740827) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID120740827
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CC2(N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-2-19-5-7-20(8-6-19)21-18-24-11-12-26(21)22(27)17-23(9-3-4-10-23)25-13-15-28-16-14-25/h5-8,21,24H,2-4,9-18H2,1H3
InChIKeyOBUXJBWZSVGGPN-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120741684
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 120739990
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
2-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 120741541
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (CID 120740827) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is CCc1ccc(C2CNCCN2C(=O)CC2(N3CCOCC3)CCCC2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is OBUXJBWZSVGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-19-5-7-20(8-6-19)21-18-24-11-12-26(21)22(27)17-23(9-3-4-10-23)25-13-15-28-16-14-25/h5-8,21,24H,2-4,9-18H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 385.55 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 120740827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).