N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide

C25H31N3O4 — CID 51362499

IUPACN-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2ccccc2=O)CC1
InChIInChI=1S/C25H31N3O4/c1-18(2)11-14-26-24(31)20-12-16-27(17-13-20)25(32)22(28-15-7-6-10-21(28)29)23(30)19-8-4-3-5-9-19/h3-10,15,18,20,22H,11-14,16-17H2,1-2H3,(H,26,31)
InChIKeyFDTSGDVBLAZXBO-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.67
Rot. Bonds8

About N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide

N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide (PubChem CID 51362499) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide
PubChem CID51362499
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2ccccc2=O)CC1
InChIInChI=1S/C25H31N3O4/c1-18(2)11-14-26-24(31)20-12-16-27(17-13-20)25(32)22(28-15-7-6-10-21(28)29)23(30)19-8-4-3-5-9-19/h3-10,15,18,20,22H,11-14,16-17H2,1-2H3,(H,26,31)
InChIKeyFDTSGDVBLAZXBO-UHFFFAOYSA-N
XLogP2.67
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3979678
(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 41165207
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-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3672824
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
CID 51361843
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide (CID 51362499) is N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2ccccc2=O)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
The InChIKey is FDTSGDVBLAZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-18(2)11-14-26-24(31)20-12-16-27(17-13-20)25(32)22(28-15-7-6-10-21(28)29)23(30)19-8-4-3-5-9-19/h3-10,15,18,20,22H,11-14,16-17H2,1-2H3,(H,26,31).
What are the key properties of N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide?
N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51362499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).