4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

C17H27N3OS — CID 47046097

IUPAC4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H27N3OS/c21-17(18-8-5-16-4-3-13-22-16)20-11-6-15(7-12-20)14-19-9-1-2-10-19/h3-4,13,15H,1-2,5-12,14H2,(H,18,21)
InChIKeyUHXGCJOAHMJRNX-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.81
Rot. Bonds5

About 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (PubChem CID 47046097) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
PubChem CID47046097
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H27N3OS/c21-17(18-8-5-16-4-3-13-22-16)20-11-6-15(7-12-20)14-19-9-1-2-10-19/h3-4,13,15H,1-2,5-12,14H2,(H,18,21)
InChIKeyUHXGCJOAHMJRNX-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (CID 47046097) is 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is O=C(NCCc1cccs1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is UHXGCJOAHMJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c21-17(18-8-5-16-4-3-13-22-16)20-11-6-15(7-12-20)14-19-9-1-2-10-19/h3-4,13,15H,1-2,5-12,14H2,(H,18,21).
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 47046097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).