1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone

C22H31N5O2 — CID 136520142

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1C1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-3-21-23-19-6-4-5-7-20(19)27(21)18-8-10-24(11-9-18)16-22(29)26-14-12-25(13-15-26)17(2)28/h4-7,18H,3,8-16H2,1-2H3
InChIKeyIMTWZPDATBDKJY-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 136520142) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID136520142
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1C1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-3-21-23-19-6-4-5-7-20(19)27(21)18-8-10-24(11-9-18)16-22(29)26-14-12-25(13-15-26)17(2)28/h4-7,18H,3,8-16H2,1-2H3
InChIKeyIMTWZPDATBDKJY-UHFFFAOYSA-N
XLogP1.93
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120641164
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-4-methylsulfonylphenyl]ethanone
CID 133463109
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133445384
N-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propyl]-4-fluoroaniline
CID 58599524
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone (CID 136520142) is 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone is CCc1nc2ccccc2n1C1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is IMTWZPDATBDKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-3-21-23-19-6-4-5-7-20(19)27(21)18-8-10-24(11-9-18)16-22(29)26-14-12-25(13-15-26)17(2)28/h4-7,18H,3,8-16H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 397.52 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136520142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).