(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone

C26H34FN3O2 — CID 134802654

IUPAC(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCCN2Cc2ccc(-c3cc(F)ccc3OC)cc2)CC1
InChIInChI=1S/C26H34FN3O2/c1-3-28-14-16-29(17-15-28)26(31)24-6-4-5-13-30(24)19-20-7-9-21(10-8-20)23-18-22(27)11-12-25(23)32-2/h7-12,18,24H,3-6,13-17,19H2,1-2H3
InChIKeyMKAVPNNGSBFPLM-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.02
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone

(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone (PubChem CID 134802654) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
PubChem CID134802654
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCCN2Cc2ccc(-c3cc(F)ccc3OC)cc2)CC1
InChIInChI=1S/C26H34FN3O2/c1-3-28-14-16-29(17-15-28)26(31)24-6-4-5-13-30(24)19-20-7-9-21(10-8-20)23-18-22(27)11-12-25(23)32-2/h7-12,18,24H,3-6,13-17,19H2,1-2H3
InChIKeyMKAVPNNGSBFPLM-UHFFFAOYSA-N
XLogP4.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134801868
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
N-cyclobutyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134802121
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 10249422
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119636461
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone (CID 134802654) is (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone is CCN1CCN(C(=O)C2CCCCN2Cc2ccc(-c3cc(F)ccc3OC)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone?
The InChIKey is MKAVPNNGSBFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-3-28-14-16-29(17-15-28)26(31)24-6-4-5-13-30(24)19-20-7-9-21(10-8-20)23-18-22(27)11-12-25(23)32-2/h7-12,18,24H,3-6,13-17,19H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone has a molecular weight of 439.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone is sourced from PubChem (CID 134802654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).