2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide

C24H35N5O2 — CID 44589488

IUPAC2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
SMILESCC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H35N5O2/c1-19(30)9-5-3-8-12-21(26-23(31)18-29-15-13-28(2)14-16-29)24-25-17-22(27-24)20-10-6-4-7-11-20/h4,6-7,10-11,17,21H,3,5,8-9,12-16,18H2,1-2H3,(H,25,27)(H,26,31)/t21-/m0/s1
InChIKeyDVRMJBBYHFIUML-NRFANRHFSA-N
MW425.58 g/mol
LogP3.02
Rot. Bonds11

About 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide (PubChem CID 44589488) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
PubChem CID44589488
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
SMILESCC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H35N5O2/c1-19(30)9-5-3-8-12-21(26-23(31)18-29-15-13-28(2)14-16-29)24-25-17-22(27-24)20-10-6-4-7-11-20/h4,6-7,10-11,17,21H,3,5,8-9,12-16,18H2,1-2H3,(H,25,27)(H,26,31)/t21-/m0/s1
InChIKeyDVRMJBBYHFIUML-NRFANRHFSA-N
XLogP3.02
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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{1-[1-[1-(2,2-Difluoro-2-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-acetyl)-3-methyl-butylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
CID 473856
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide (CID 44589488) is 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide is CC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide?
The InChIKey is DVRMJBBYHFIUML-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-19(30)9-5-3-8-12-21(26-23(31)18-29-15-13-28(2)14-16-29)24-25-17-22(27-24)20-10-6-4-7-11-20/h4,6-7,10-11,17,21H,3,5,8-9,12-16,18H2,1-2H3,(H,25,27)(H,26,31)/t21-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 3.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide is sourced from PubChem (CID 44589488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).