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

C20H29N3O2 — CID 120741677

IUPAC1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-3-16-4-6-17(7-5-16)19-14-21-10-13-23(19)20(25)18-8-11-22(12-9-18)15(2)24/h4-7,18-19,21H,3,8-14H2,1-2H3
InChIKeySYACQFRBRYGOJO-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.98
Rot. Bonds3

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

1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 120741677) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID120741677
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-3-16-4-6-17(7-5-16)19-14-21-10-13-23(19)20(25)18-8-11-22(12-9-18)15(2)24/h4-7,18-19,21H,3,8-14H2,1-2H3
InChIKeySYACQFRBRYGOJO-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-ethylphenyl)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

[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 120740376
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
CID 120741358

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 120741677) is 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CCc1ccc(C2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is SYACQFRBRYGOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-16-4-6-17(7-5-16)19-14-21-10-13-23(19)20(25)18-8-11-22(12-9-18)15(2)24/h4-7,18-19,21H,3,8-14H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 120741677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).