1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide

C24H34N4O2 — CID 44589487

IUPAC1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(29)9-5-3-8-12-21(27-24(30)20-13-15-28(2)16-14-20)23-25-17-22(26-23)19-10-6-4-7-11-19/h4,6-7,10-11,17,20-21H,3,5,8-9,12-16H2,1-2H3,(H,25,26)(H,27,30)/t21-/m0/s1
InChIKeyWVIVOVMCXKDQPW-NRFANRHFSA-N
MW410.56 g/mol
LogP4.12
Rot. Bonds10

About 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide

1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide (PubChem CID 44589487) 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-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide
PubChem CID44589487
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-4-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H34N4O2/c1-18(29)9-5-3-8-12-21(27-24(30)20-13-15-28(2)16-14-20)23-25-17-22(26-23)19-10-6-4-7-11-19/h4,6-7,10-11,17,20-21H,3,5,8-9,12-16H2,1-2H3,(H,25,26)(H,27,30)/t21-/m0/s1
InChIKeyWVIVOVMCXKDQPW-NRFANRHFSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide (CID 44589487) is 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide is CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The InChIKey is WVIVOVMCXKDQPW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-18(29)9-5-3-8-12-21(27-24(30)20-13-15-28(2)16-14-20)23-25-17-22(26-23)19-10-6-4-7-11-19/h4,6-7,10-11,17,20-21H,3,5,8-9,12-16H2,1-2H3,(H,25,26)(H,27,30)/t21-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.12, 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-4-carboxamide is sourced from PubChem (CID 44589487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).