3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate

C22H24N2O4 — CID 15380464

IUPAC3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1
InChIInChI=1S/C22H24N2O4/c25-20(18-10-2-1-3-11-18)21(26)24-14-5-4-12-19(24)22(27)28-15-7-9-17-8-6-13-23-16-17/h1-3,6,8,10-11,13,16,19H,4-5,7,9,12,14-15H2
InChIKeyQDJFUMQNAWRXOP-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.82
Rot. Bonds7

About 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate

3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate (PubChem CID 15380464) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
PubChem CID15380464
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1
InChIInChI=1S/C22H24N2O4/c25-20(18-10-2-1-3-11-18)21(26)24-14-5-4-12-19(24)22(27)28-15-7-9-17-8-6-13-23-16-17/h1-3,6,8,10-11,13,16,19H,4-5,7,9,12,14-15H2
InChIKeyQDJFUMQNAWRXOP-UHFFFAOYSA-N
XLogP2.82
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The IUPAC name of 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate (CID 15380464) is 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The canonical SMILES for 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate is O=C(C(=O)N1CCCCC1C(=O)OCCCc1cccnc1)c1ccccc1.
What is the InChIKey of 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
The InChIKey is QDJFUMQNAWRXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(18-10-2-1-3-11-18)21(26)24-14-5-4-12-19(24)22(27)28-15-7-9-17-8-6-13-23-16-17/h1-3,6,8,10-11,13,16,19H,4-5,7,9,12,14-15H2.
What are the key properties of 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate?
3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 15380464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).