1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide

C24H34N4O2 — CID 44589485

IUPAC1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCCCN1C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(29)11-5-3-8-14-20(27-24(30)22-15-9-10-16-28(22)2)23-25-17-21(26-23)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22H,3,5,8-11,14-16H2,1-2H3,(H,25,26)(H,27,30)/t20-,22?/m0/s1
InChIKeyGFBFIGQHSCLECS-AIBWNMTMSA-N
MW410.56 g/mol
LogP4.26
Rot. Bonds10

About 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide

1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide (PubChem CID 44589485) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide
PubChem CID44589485
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCCCN1C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(29)11-5-3-8-14-20(27-24(30)22-15-9-10-16-28(22)2)23-25-17-21(26-23)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22H,3,5,8-11,14-16H2,1-2H3,(H,25,26)(H,27,30)/t20-,22?/m0/s1
InChIKeyGFBFIGQHSCLECS-AIBWNMTMSA-N
XLogP4.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide (CID 44589485) is 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide is CC(=O)CCCCC[C@H](NC(=O)C1CCCCN1C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide?
The InChIKey is GFBFIGQHSCLECS-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-18(29)11-5-3-8-14-20(27-24(30)22-15-9-10-16-28(22)2)23-25-17-21(26-23)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22H,3,5,8-11,14-16H2,1-2H3,(H,25,26)(H,27,30)/t20-,22?/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide?
1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide is sourced from PubChem (CID 44589485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).