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

C23H33N5O2 — CID 44589672

IUPAC1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C23H33N5O2/c1-17(29)8-4-3-5-10-20(27-23(30)18-11-14-28(2)15-12-18)22-25-16-21(26-22)19-9-6-7-13-24-19/h6-7,9,13,16,18,20H,3-5,8,10-12,14-15H2,1-2H3,(H,25,26)(H,27,30)/t20-/m0/s1
InChIKeyVAUISCYVSBRTQO-FQEVSTJZSA-N
MW411.55 g/mol
LogP3.51
Rot. Bonds10

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

1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide (PubChem CID 44589672) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide
PubChem CID44589672
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide
SMILESCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C23H33N5O2/c1-17(29)8-4-3-5-10-20(27-23(30)18-11-14-28(2)15-12-18)22-25-16-21(26-22)19-9-6-7-13-24-19/h6-7,9,13,16,18,20H,3-5,8,10-12,14-15H2,1-2H3,(H,25,26)(H,27,30)/t20-/m0/s1
InChIKeyVAUISCYVSBRTQO-FQEVSTJZSA-N
XLogP3.51
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.51
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

{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
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
CID 147338912
CID 147338912
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(6-quinolyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506558
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506569
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506638
(2S)-6-methyl-N-[(1S)-1-[5-(1-methylindol-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506662
(2S)-N-[(1S)-1-[5-(2-ethylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506666
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506671
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(3-quinolyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506674

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide (CID 44589672) is 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide is CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
The InChIKey is VAUISCYVSBRTQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-17(29)8-4-3-5-10-20(27-23(30)18-11-14-28(2)15-12-18)22-25-16-21(26-22)19-9-6-7-13-24-19/h6-7,9,13,16,18,20H,3-5,8,10-12,14-15H2,1-2H3,(H,25,26)(H,27,30)/t20-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide?
1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-7-oxo-1-(5-pyridin-2-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide is sourced from PubChem (CID 44589672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).