N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide

C15H24N2O2S — CID 106435467

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(O)c2ccsc2)CCCNC1
InChIInChI=1S/C15H24N2O2S/c1-2-5-15(6-3-7-16-11-15)14(19)17-9-13(18)12-4-8-20-10-12/h4,8,10,13,16,18H,2-3,5-7,9,11H2,1H3,(H,17,19)
InChIKeyIBLFQWUROZGFSQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide (PubChem CID 106435467) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
PubChem CID106435467
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(O)c2ccsc2)CCCNC1
InChIInChI=1S/C15H24N2O2S/c1-2-5-15(6-3-7-16-11-15)14(19)17-9-13(18)12-4-8-20-10-12/h4,8,10,13,16,18H,2-3,5-7,9,11H2,1H3,(H,17,19)
InChIKeyIBLFQWUROZGFSQ-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide (CID 106435467) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCC(O)c2ccsc2)CCCNC1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is IBLFQWUROZGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-5-15(6-3-7-16-11-15)14(19)17-9-13(18)12-4-8-20-10-12/h4,8,10,13,16,18H,2-3,5-7,9,11H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 106435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).