1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride

C22H34ClN3O2 — CID 120740910

IUPAC1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccc(CC)cc2)C1.Cl
InChIInChI=1S/C22H33N3O2.ClH/c1-3-6-21(26)24-13-5-7-19(16-24)22(27)25-14-12-23-15-20(25)18-10-8-17(4-2)9-11-18;/h8-11,19-20,23H,3-7,12-16H2,1-2H3;1H
InChIKeyHKYXFLHPADHQEW-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.18
Rot. Bonds5

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

1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 120740910) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID120740910
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccc(CC)cc2)C1.Cl
InChIInChI=1S/C22H33N3O2.ClH/c1-3-6-21(26)24-13-5-7-19(16-24)22(27)25-14-12-23-15-20(25)18-10-8-17(4-2)9-11-18;/h8-11,19-20,23H,3-7,12-16H2,1-2H3;1H
InChIKeyHKYXFLHPADHQEW-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[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-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120739124
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757919
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (CID 120740910) is 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCC(C(=O)N2CCNCC2c2ccc(CC)cc2)C1.Cl.
What is the InChIKey of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is HKYXFLHPADHQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2.ClH/c1-3-6-21(26)24-13-5-7-19(16-24)22(27)25-14-12-23-15-20(25)18-10-8-17(4-2)9-11-18;/h8-11,19-20,23H,3-7,12-16H2,1-2H3;1H.
What are the key properties of 1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 3.18, 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]butan-1-one;hydrochloride is sourced from PubChem (CID 120740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).