2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide

C18H22N4O — CID 134242529

IUPAC2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
SMILES[H]/N=C/c1ccc([C@H]2C[C@H](C)CN(CC(N)=O)C2)c2cccnc12
InChIInChI=1S/C18H22N4O/c1-12-7-14(10-22(9-12)11-17(20)23)15-5-4-13(8-19)18-16(15)3-2-6-21-18/h2-6,8,12,14,19H,7,9-11H2,1H3,(H2,20,23)/b19-8+/t12-,14-/m0/s1
InChIKeyGUCLRAFNDKGRPT-FPLHFXQWSA-N
MW310.40 g/mol
LogP2.14
Rot. Bonds4

About 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide

2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide (PubChem CID 134242529) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
PubChem CID134242529
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide
SMILES[H]/N=C/c1ccc([C@H]2C[C@H](C)CN(CC(N)=O)C2)c2cccnc12
InChIInChI=1S/C18H22N4O/c1-12-7-14(10-22(9-12)11-17(20)23)15-5-4-13(8-19)18-16(15)3-2-6-21-18/h2-6,8,12,14,19H,7,9-11H2,1H3,(H2,20,23)/b19-8+/t12-,14-/m0/s1
InChIKeyGUCLRAFNDKGRPT-FPLHFXQWSA-N
XLogP2.14
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 79448
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CID 168294910
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CID 835411
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CID 182807
CID 182807
CID 2832016
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CID 9801682
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CID 9913344
CID 9913344

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide (CID 134242529) is 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide is [H]/N=C/c1ccc([C@H]2C[C@H](C)CN(CC(N)=O)C2)c2cccnc12.
What is the InChIKey of 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide?
The InChIKey is GUCLRAFNDKGRPT-FPLHFXQWSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-7-14(10-22(9-12)11-17(20)23)15-5-4-13(8-19)18-16(15)3-2-6-21-18/h2-6,8,12,14,19H,7,9-11H2,1H3,(H2,20,23)/b19-8+/t12-,14-/m0/s1.
What are the key properties of 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide?
2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3-(8-methanimidoylquinolin-5-yl)-5-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 134242529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).