N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide

C19H26ClN3O3 — CID 14441170

IUPACN-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NCCCN1CCCC(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H26ClN3O3/c20-16-7-5-15(6-8-16)19(26)9-2-11-22(14-19)12-3-10-21-18(25)23-13-1-4-17(23)24/h5-8,26H,1-4,9-14H2,(H,21,25)
InChIKeyWZIQNRORZLSOBI-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.35
Rot. Bonds5

About N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide

N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide (PubChem CID 14441170) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide
PubChem CID14441170
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NCCCN1CCCC(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H26ClN3O3/c20-16-7-5-15(6-8-16)19(26)9-2-11-22(14-19)12-3-10-21-18(25)23-13-1-4-17(23)24/h5-8,26H,1-4,9-14H2,(H,21,25)
InChIKeyWZIQNRORZLSOBI-UHFFFAOYSA-N
XLogP2.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide (CID 14441170) is N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide is O=C1CCCN1C(=O)NCCCN1CCCC(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide?
The InChIKey is WZIQNRORZLSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-16-7-5-15(6-8-16)19(26)9-2-11-22(14-19)12-3-10-21-18(25)23-13-1-4-17(23)24/h5-8,26H,1-4,9-14H2,(H,21,25).
What are the key properties of N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide?
N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-3-hydroxypiperidin-1-yl]propyl]-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 14441170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).