(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol

C23H33N3OS — CID 42099218

IUPAC(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
SMILESCN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(C3CCCC3)s2)C[C@H]1O
InChIInChI=1S/C23H33N3OS/c1-25(14-11-19-8-4-5-13-24-19)21-12-15-26(17-22(21)27)16-20-9-10-23(28-20)18-6-2-3-7-18/h4-5,8-10,13,18,21-22,27H,2-3,6-7,11-12,14-17H2,1H3/t21-,22-/m1/s1
InChIKeyDQLSGBLMDZPMBC-FGZHOGPDSA-N
MW399.60 g/mol
LogP3.91
Rot. Bonds7

About (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol

(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol (PubChem CID 42099218) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
PubChem CID42099218
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC Name(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
SMILESCN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(C3CCCC3)s2)C[C@H]1O
InChIInChI=1S/C23H33N3OS/c1-25(14-11-19-8-4-5-13-24-19)21-12-15-26(17-22(21)27)16-20-9-10-23(28-20)18-6-2-3-7-18/h4-5,8-10,13,18,21-22,27H,2-3,6-7,11-12,14-17H2,1H3/t21-,22-/m1/s1
InChIKeyDQLSGBLMDZPMBC-FGZHOGPDSA-N
XLogP3.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 56853923
(3R,4R)-4-[methyl(2-pyridin-2-ylethyl)amino]-1-(3-pyrazol-1-ylpropyl)piperidin-3-ol
CID 25289228
(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 29022232
7-[(5-cyclopentylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501195
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 171130428
3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 126448355
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
1-cyclopropyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidin-2-one
CID 172900719

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol (CID 42099218) is (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol is CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(C3CCCC3)s2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
The InChIKey is DQLSGBLMDZPMBC-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-25(14-11-19-8-4-5-13-24-19)21-12-15-26(17-22(21)27)16-20-9-10-23(28-20)18-6-2-3-7-18/h4-5,8-10,13,18,21-22,27H,2-3,6-7,11-12,14-17H2,1H3/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol?
(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol has a molecular weight of 399.60 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol is sourced from PubChem (CID 42099218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).