N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C18H26ClN3O3S — CID 3242081

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H26ClN3O3S/c19-17-5-3-15(4-6-17)7-10-20-18(23)16-8-13-22(14-9-16)26(24,25)21-11-1-2-12-21/h3-6,16H,1-2,7-14H2,(H,20,23)
InChIKeyCUIIAAKXSRNPEY-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242081) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242081
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H26ClN3O3S/c19-17-5-3-15(4-6-17)7-10-20-18(23)16-8-13-22(14-9-16)26(24,25)21-11-1-2-12-21/h3-6,16H,1-2,7-14H2,(H,20,23)
InChIKeyCUIIAAKXSRNPEY-UHFFFAOYSA-N
XLogP2.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3242081) is N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CUIIAAKXSRNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3S/c19-17-5-3-15(4-6-17)7-10-20-18(23)16-8-13-22(14-9-16)26(24,25)21-11-1-2-12-21/h3-6,16H,1-2,7-14H2,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 399.94 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).