1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide

C22H27N3O3 — CID 102603994

IUPAC1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCN3C(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-21(26)19-4-2-12-25(19)22(27)20-5-3-15-28-20/h3,5-9,15-16,19H,2,4,10-14H2,1H3,(H,23,26)
InChIKeyOBYAFQSLNDNQKQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102603994) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102603994
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCN3C(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-21(26)19-4-2-12-25(19)22(27)20-5-3-15-28-20/h3,5-9,15-16,19H,2,4,10-14H2,1H3,(H,23,26)
InChIKeyOBYAFQSLNDNQKQ-UHFFFAOYSA-N
XLogP3.76
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 102603994) is 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide is CC1CCN(c2ccc(NC(=O)C3CCCN3C(=O)c3ccco3)cc2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is OBYAFQSLNDNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-21(26)19-4-2-12-25(19)22(27)20-5-3-15-28-20/h3,5-9,15-16,19H,2,4,10-14H2,1H3,(H,23,26).
What are the key properties of 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102603994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).