2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

C23H26N4O3 — CID 10549323

IUPAC2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C23H26N4O3/c1-30-12-9-19-15-26(10-11-27(19)22(28)13-18-14-24-16-25-18)23(29)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,14,16,19H,9-13,15H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyFKFFBJQMEHSZDR-IBGZPJMESA-N
MW406.49 g/mol
LogP2.50
Rot. Bonds6

About 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 10549323) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID10549323
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C23H26N4O3/c1-30-12-9-19-15-26(10-11-27(19)22(28)13-18-14-24-16-25-18)23(29)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,14,16,19H,9-13,15H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyFKFFBJQMEHSZDR-IBGZPJMESA-N
XLogP2.50
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (CID 10549323) is 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is FKFFBJQMEHSZDR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-12-9-19-15-26(10-11-27(19)22(28)13-18-14-24-16-25-18)23(29)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,14,16,19H,9-13,15H2,1H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 406.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-[(2S)-2-(2-methoxyethyl)-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 10549323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).