(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione

C26H31N3O4 — CID 41165207

IUPAC(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
SMILESCC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1
InChIInChI=1S/C26H31N3O4/c1-19-10-15-27(16-11-19)25(32)21-12-17-28(18-13-21)26(33)23(29-14-6-5-9-22(29)30)24(31)20-7-3-2-4-8-20/h2-9,14,19,21,23H,10-13,15-18H2,1H3/t23-/m1/s1
InChIKeyULDAONYYYRPCKV-HSZRJFAPSA-N
MW449.55 g/mol
LogP2.77
Rot. Bonds5

About (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione

(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione (PubChem CID 41165207) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
PubChem CID41165207
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
SMILESCC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1
InChIInChI=1S/C26H31N3O4/c1-19-10-15-27(16-11-19)25(32)21-12-17-28(18-13-21)26(33)23(29-14-6-5-9-22(29)30)24(31)20-7-3-2-4-8-20/h2-9,14,19,21,23H,10-13,15-18H2,1H3/t23-/m1/s1
InChIKeyULDAONYYYRPCKV-HSZRJFAPSA-N
XLogP2.77
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 4204004
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 3437654
1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
CID 51361843
1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3979678
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]propane-1,3-dione
CID 3631498
N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
CID 3523746
1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
CID 3160489
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
N-benzyl-1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-ethylpiperidine-4-carboxamide
CID 3906182
(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
CID 55950323
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione?
The IUPAC name of (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione (CID 41165207) is (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione is CC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1.
What is the InChIKey of (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione?
The InChIKey is ULDAONYYYRPCKV-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-19-10-15-27(16-11-19)25(32)21-12-17-28(18-13-21)26(33)23(29-14-6-5-9-22(29)30)24(31)20-7-3-2-4-8-20/h2-9,14,19,21,23H,10-13,15-18H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione?
(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione has a molecular weight of 449.55 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 41165207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).