2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C28H29N5O3 — CID 23654525

IUPAC2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C4CCN(C(=O)c5ccccc5)CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C28H29N5O3/c1-32-26(35)28(31-27(32)29,22-11-13-33(14-12-22)25(34)19-7-4-3-5-8-19)23-10-6-9-20(15-23)21-16-24(36-2)18-30-17-21/h3-10,15-18,22H,11-14H2,1-2H3,(H2,29,31)
InChIKeyHCINYZULGXFBNT-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 23654525) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID23654525
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C4CCN(C(=O)c5ccccc5)CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C28H29N5O3/c1-32-26(35)28(31-27(32)29,22-11-13-33(14-12-22)25(34)19-7-4-3-5-8-19)23-10-6-9-20(15-23)21-16-24(36-2)18-30-17-21/h3-10,15-18,22H,11-14H2,1-2H3,(H2,29,31)
InChIKeyHCINYZULGXFBNT-UHFFFAOYSA-N
XLogP3.29
TPSA101.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 23654525) is 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is COc1cncc(-c2cccc(C3(C4CCN(C(=O)c5ccccc5)CC4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is HCINYZULGXFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-32-26(35)28(31-27(32)29,22-11-13-33(14-12-22)25(34)19-7-4-3-5-8-19)23-10-6-9-20(15-23)21-16-24(36-2)18-30-17-21/h3-10,15-18,22H,11-14H2,1-2H3,(H2,29,31).
What are the key properties of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 483.57 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 23654525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).