1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide

C30H40N4O2 — CID 44589745

IUPAC1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide
SMILESCCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C30H40N4O2/c1-3-9-26(35)12-5-4-6-13-27(33-30(36)23-16-18-34(2)19-17-23)29-31-21-28(32-29)25-15-14-22-10-7-8-11-24(22)20-25/h7-8,10-11,14-15,20-21,23,27H,3-6,9,12-13,16-19H2,1-2H3,(H,31,32)(H,33,36)/t27-/m0/s1
InChIKeyOMJUQONVNINAJG-MHZLTWQESA-N
MW488.68 g/mol
LogP6.05
Rot. Bonds12

About 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide

1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide (PubChem CID 44589745) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide
PubChem CID44589745
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide
SMILESCCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C30H40N4O2/c1-3-9-26(35)12-5-4-6-13-27(33-30(36)23-16-18-34(2)19-17-23)29-31-21-28(32-29)25-15-14-22-10-7-8-11-24(22)20-25/h7-8,10-11,14-15,20-21,23,27H,3-6,9,12-13,16-19H2,1-2H3,(H,31,32)(H,33,36)/t27-/m0/s1
InChIKeyOMJUQONVNINAJG-MHZLTWQESA-N
XLogP6.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 56.05
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)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide (CID 44589745) is 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide is CCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide?
The InChIKey is OMJUQONVNINAJG-MHZLTWQESA-N. The full InChI is InChI=1S/C30H40N4O2/c1-3-9-26(35)12-5-4-6-13-27(33-30(36)23-16-18-34(2)19-17-23)29-31-21-28(32-29)25-15-14-22-10-7-8-11-24(22)20-25/h7-8,10-11,14-15,20-21,23,27H,3-6,9,12-13,16-19H2,1-2H3,(H,31,32)(H,33,36)/t27-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide?
1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide has a molecular weight of 488.68 g/mol, XLogP of 6.05, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxodecyl]piperidine-4-carboxamide is sourced from PubChem (CID 44589745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).