[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone

C18H27N3O2 — CID 119827264

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-17-8-4-3-7-16(17)20-10-12-21(13-11-20)18(22)15-6-5-9-19-14-15/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
InChIKeyZWFCQMSQEBOLGN-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.73
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119827264) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID119827264
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-17-8-4-3-7-16(17)20-10-12-21(13-11-20)18(22)15-6-5-9-19-14-15/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
InChIKeyZWFCQMSQEBOLGN-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
(E)-1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 35071943
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903657
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 155493423

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 119827264) is [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone is CCOc1ccccc1N1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is ZWFCQMSQEBOLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-17-8-4-3-7-16(17)20-10-12-21(13-11-20)18(22)15-6-5-9-19-14-15/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 317.43 g/mol, XLogP of 1.73, 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]-piperidin-3-ylmethanone is sourced from PubChem (CID 119827264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).