1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C19H27N3O3 — CID 125005845

IUPAC1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-10-7-16(8-11-21)19(24)22-12-9-20-13-18(22)15-3-5-17(25-2)6-4-15/h3-6,16,18,20H,7-13H2,1-2H3/t18-/m1/s1
InChIKeyUCCZDZXIBNYKKO-GOSISDBHSA-N
MW345.44 g/mol
LogP1.43
Rot. Bonds3

About 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 125005845) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID125005845
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-10-7-16(8-11-21)19(24)22-12-9-20-13-18(22)15-3-5-17(25-2)6-4-15/h3-6,16,18,20H,7-13H2,1-2H3/t18-/m1/s1
InChIKeyUCCZDZXIBNYKKO-GOSISDBHSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124978298
1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124941963
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 125005845) is 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccc([C@H]2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is UCCZDZXIBNYKKO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)21-10-7-16(8-11-21)19(24)22-12-9-20-13-18(22)15-3-5-17(25-2)6-4-15/h3-6,16,18,20H,7-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125005845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).