5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide

C31H47N5O4 — CID 143914457

IUPAC5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide
SMILESCOCCCCc1c(C(=O)N(CC(C)C)CC2CNC[C@H](C(=O)N3CCOCC3)C2)nc(C)n1-c1ccccc1
InChIInChI=1S/C31H47N5O4/c1-23(2)21-35(22-25-18-26(20-32-19-25)30(37)34-13-16-40-17-14-34)31(38)29-28(12-8-9-15-39-4)36(24(3)33-29)27-10-6-5-7-11-27/h5-7,10-11,23,25-26,32H,8-9,12-22H2,1-4H3/t25?,26-/m1/s1
InChIKeySORYIRNKKYUSRJ-FXDYGKIASA-N
MW553.75 g/mol
LogP3.33
Rot. Bonds12

About 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide

5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide (PubChem CID 143914457) has the molecular formula C31H47N5O4 and a molecular weight of 553.75 g/mol. Its IUPAC name is 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide
PubChem CID143914457
Molecular FormulaC31H47N5O4
Molecular Weight553.75 g/mol
Exact Mass553.36
IUPAC Name5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide
SMILESCOCCCCc1c(C(=O)N(CC(C)C)CC2CNC[C@H](C(=O)N3CCOCC3)C2)nc(C)n1-c1ccccc1
InChIInChI=1S/C31H47N5O4/c1-23(2)21-35(22-25-18-26(20-32-19-25)30(37)34-13-16-40-17-14-34)31(38)29-28(12-8-9-15-39-4)36(24(3)33-29)27-10-6-5-7-11-27/h5-7,10-11,23,25-26,32H,8-9,12-22H2,1-4H3/t25?,26-/m1/s1
InChIKeySORYIRNKKYUSRJ-FXDYGKIASA-N
XLogP3.33
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide?
The IUPAC name of 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide (CID 143914457) is 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide is COCCCCc1c(C(=O)N(CC(C)C)CC2CNC[C@H](C(=O)N3CCOCC3)C2)nc(C)n1-c1ccccc1.
What is the InChIKey of 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide?
The InChIKey is SORYIRNKKYUSRJ-FXDYGKIASA-N. The full InChI is InChI=1S/C31H47N5O4/c1-23(2)21-35(22-25-18-26(20-32-19-25)30(37)34-13-16-40-17-14-34)31(38)29-28(12-8-9-15-39-4)36(24(3)33-29)27-10-6-5-7-11-27/h5-7,10-11,23,25-26,32H,8-9,12-22H2,1-4H3/t25?,26-/m1/s1.
What are the key properties of 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide?
5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide has a molecular weight of 553.75 g/mol, XLogP of 3.33, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutyl)-2-methyl-N-(2-methylpropyl)-N-[[(5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]methyl]-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 143914457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).