[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

C23H34N4O2 — CID 120741621

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2/c1-2-18-5-7-19(8-6-18)21-17-24-11-16-27(21)22(28)20-9-14-26(15-10-20)23(29)25-12-3-4-13-25/h5-8,20-21,24H,2-4,9-17H2,1H3
InChIKeyYLFCMIZRXHBKMR-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.65
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 120741621) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
PubChem CID120741621
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2/c1-2-18-5-7-19(8-6-18)21-17-24-11-16-27(21)22(28)20-9-14-26(15-10-20)23(29)25-12-3-4-13-25/h5-8,20-21,24H,2-4,9-17H2,1H3
InChIKeyYLFCMIZRXHBKMR-UHFFFAOYSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
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-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 120740376
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (CID 120741621) is [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is CCc1ccc(C2CNCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is YLFCMIZRXHBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-2-18-5-7-19(8-6-18)21-17-24-11-16-27(21)22(28)20-9-14-26(15-10-20)23(29)25-12-3-4-13-25/h5-8,20-21,24H,2-4,9-17H2,1H3.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120741621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).