1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

C23H35N3O2 — CID 120740649

IUPAC1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCN(C(=O)C(C)CC)C2)cc1
InChIInChI=1S/C23H35N3O2/c1-4-17(3)22(27)25-13-6-7-20(16-25)23(28)26-14-12-24-15-21(26)19-10-8-18(5-2)9-11-19/h8-11,17,20-21,24H,4-7,12-16H2,1-3H3
InChIKeyBTGDYGDVVZPSMK-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 120740649) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID120740649
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCN(C(=O)C(C)CC)C2)cc1
InChIInChI=1S/C23H35N3O2/c1-4-17(3)22(27)25-13-6-7-20(16-25)23(28)26-14-12-24-15-21(26)19-10-8-18(5-2)9-11-19/h8-11,17,20-21,24H,4-7,12-16H2,1-3H3
InChIKeyBTGDYGDVVZPSMK-UHFFFAOYSA-N
XLogP3.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 120739982
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757919
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one (CID 120740649) is 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is CCc1ccc(C2CNCCN2C(=O)C2CCCN(C(=O)C(C)CC)C2)cc1.
What is the InChIKey of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is BTGDYGDVVZPSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-4-17(3)22(27)25-13-6-7-20(16-25)23(28)26-14-12-24-15-21(26)19-10-8-18(5-2)9-11-19/h8-11,17,20-21,24H,4-7,12-16H2,1-3H3.
What are the key properties of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one?
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 385.55 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 120740649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).