3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C19H29N3O3S — CID 91910325

IUPAC3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22-13-9-17(10-14-22)18-8-12-21(15-18)19(23)20-11-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23)
InChIKeyQGFMENHSPNIEFP-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.93
Rot. Bonds5

About 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide

3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 91910325) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID91910325
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22-13-9-17(10-14-22)18-8-12-21(15-18)19(23)20-11-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23)
InChIKeyQGFMENHSPNIEFP-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 91910325) is 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide is CS(=O)(=O)N1CCC(C2CCN(C(=O)NCCc3ccccc3)C2)CC1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is QGFMENHSPNIEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)22-13-9-17(10-14-22)18-8-12-21(15-18)19(23)20-11-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23).
What are the key properties of 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91910325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).