N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C22H33N3O2 — CID 20968412

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CC(=O)N(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H33N3O2/c1-18-7-5-12-24(16-18)13-6-11-23-22(27)20-15-21(26)25(17-20)14-10-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H,23,27)
InChIKeyXIXZWXSUBKYBAY-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.32
Rot. Bonds8

About N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 20968412) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID20968412
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CC(=O)N(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H33N3O2/c1-18-7-5-12-24(16-18)13-6-11-23-22(27)20-15-21(26)25(17-20)14-10-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H,23,27)
InChIKeyXIXZWXSUBKYBAY-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 20968412) is N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CC1CCCN(CCCNC(=O)C2CC(=O)N(CCc3ccccc3)C2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XIXZWXSUBKYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18-7-5-12-24(16-18)13-6-11-23-22(27)20-15-21(26)25(17-20)14-10-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3,(H,23,27).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 20968412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).