3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal

C24H31NO2S — CID 18604585

IUPAC3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
SMILESO=CCC[C@H]1[C@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H31NO2S/c26-16-4-6-21-22(25-14-2-1-3-15-25)12-13-23(21)27-18-19-8-10-20(11-9-19)24-7-5-17-28-24/h5,7-11,16-17,21-23H,1-4,6,12-15,18H2/t21-,22+,23+/m0/s1
InChIKeyMPTVCCMVIQGNEF-YTFSRNRJSA-N
MW397.58 g/mol
LogP5.54
Rot. Bonds8

About 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal

3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal (PubChem CID 18604585) has the molecular formula C24H31NO2S and a molecular weight of 397.58 g/mol. Its IUPAC name is 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal.

Molecular Properties

Compound Name3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
PubChem CID18604585
Molecular FormulaC24H31NO2S
Molecular Weight397.58 g/mol
Exact Mass397.21
IUPAC Name3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
SMILESO=CCC[C@H]1[C@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H31NO2S/c26-16-4-6-21-22(25-14-2-1-3-15-25)12-13-23(21)27-18-19-8-10-20(11-9-19)24-7-5-17-28-24/h5,7-11,16-17,21-23H,1-4,6,12-15,18H2/t21-,22+,23+/m0/s1
InChIKeyMPTVCCMVIQGNEF-YTFSRNRJSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.58
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Morpholin-4-yl-5-[(5-phenylthiophen-2-yl)methoxy]bicyclo[2.2.1]heptan-2-one
CID 12941357
8-Morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941371
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941400
3-[(1S,2R,5R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]propanal
CID 18604563
(E)-7-[2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 20233721
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]propanal
CID 22819980
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal
CID 22819981
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
CID 22821111
3-[(1S,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-thiomorpholin-4-ylcyclopentyl]propanal
CID 53790042
methyl 7-[(1R,2S,5S)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 54012010
1-[(1R,2S,3R)-2-(3-methoxyprop-2-enyl)-3-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]piperidine
CID 54063970
7-[(1R,2S,5S)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 54123135

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal?
The IUPAC name of 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal (CID 18604585) is 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal.
What is the SMILES notation for 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal?
The canonical SMILES for 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal is O=CCC[C@H]1[C@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2cccs2)cc1.
What is the InChIKey of 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal?
The InChIKey is MPTVCCMVIQGNEF-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H31NO2S/c26-16-4-6-21-22(25-14-2-1-3-15-25)12-13-23(21)27-18-19-8-10-20(11-9-19)24-7-5-17-28-24/h5,7-11,16-17,21-23H,1-4,6,12-15,18H2/t21-,22+,23+/m0/s1.
What are the key properties of 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal?
3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal has a molecular weight of 397.58 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal is sourced from PubChem (CID 18604585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).