3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C23H36N2O2S — CID 42567316

IUPAC3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2ccc(C3CCCC3)s2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C23H36N2O2S/c26-23(24-16-20-6-3-15-27-20)10-7-18-11-13-25(14-12-18)17-21-8-9-22(28-21)19-4-1-2-5-19/h8-9,18-20H,1-7,10-17H2,(H,24,26)/t20-/m1/s1
InChIKeyXYUBHYGTCNDJIW-HXUWFJFHSA-N
MW404.62 g/mol
LogP4.69
Rot. Bonds8

About 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 42567316) has the molecular formula C23H36N2O2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID42567316
Molecular FormulaC23H36N2O2S
Molecular Weight404.62 g/mol
Exact Mass404.25
IUPAC Name3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2ccc(C3CCCC3)s2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C23H36N2O2S/c26-23(24-16-20-6-3-15-27-20)10-7-18-11-13-25(14-12-18)17-21-8-9-22(28-21)19-4-1-2-5-19/h8-9,18-20H,1-7,10-17H2,(H,24,26)/t20-/m1/s1
InChIKeyXYUBHYGTCNDJIW-HXUWFJFHSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25383579
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
CID 45216292
3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42557122
3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97277962
3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45229016
N-(oxolan-2-ylmethyl)-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]propanamide
CID 45241975
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45224572
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 25460400
3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26396266
3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26406304

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 42567316) is 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is O=C(CCC1CCN(Cc2ccc(C3CCCC3)s2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is XYUBHYGTCNDJIW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H36N2O2S/c26-23(24-16-20-6-3-15-27-20)10-7-18-11-13-25(14-12-18)17-21-8-9-22(28-21)19-4-1-2-5-19/h8-9,18-20H,1-7,10-17H2,(H,24,26)/t20-/m1/s1.
What are the key properties of 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 404.62 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42567316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).