1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide

C22H33N3O2 — CID 20968406

IUPAC1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCCN3CCCCC3)CC2=O)cc1
InChIInChI=1S/C22H33N3O2/c1-18-6-8-19(9-7-18)10-15-25-17-20(16-21(25)26)22(27)23-11-5-14-24-12-3-2-4-13-24/h6-9,20H,2-5,10-17H2,1H3,(H,23,27)
InChIKeyRYVLNWLRZHNLQK-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.38
Rot. Bonds8

About 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide

1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 20968406) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID20968406
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCCN3CCCCC3)CC2=O)cc1
InChIInChI=1S/C22H33N3O2/c1-18-6-8-19(9-7-18)10-15-25-17-20(16-21(25)26)22(27)23-11-5-14-24-12-3-2-4-13-24/h6-9,20H,2-5,10-17H2,1H3,(H,23,27)
InChIKeyRYVLNWLRZHNLQK-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 20968406) is 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCCCN3CCCCC3)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is RYVLNWLRZHNLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18-6-8-19(9-7-18)10-15-25-17-20(16-21(25)26)22(27)23-11-5-14-24-12-3-2-4-13-24/h6-9,20H,2-5,10-17H2,1H3,(H,23,27).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide?
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 20968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).