[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone

C19H29N5OS — CID 124701848

IUPAC[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@H]1CSCN1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H29N5OS/c25-19(17-14-26-15-21-17)24-7-3-4-16(13-24)12-22-8-10-23(11-9-22)18-5-1-2-6-20-18/h1-2,5-6,16-17,21H,3-4,7-15H2/t16-,17-/m1/s1
InChIKeyRGTMYPWUHDKVPE-IAGOWNOFSA-N
MW375.54 g/mol
LogP1.10
Rot. Bonds4

About [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone

[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone (PubChem CID 124701848) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
PubChem CID124701848
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@H]1CSCN1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H29N5OS/c25-19(17-14-26-15-21-17)24-7-3-4-16(13-24)12-22-8-10-23(11-9-22)18-5-1-2-6-20-18/h1-2,5-6,16-17,21H,3-4,7-15H2/t16-,17-/m1/s1
InChIKeyRGTMYPWUHDKVPE-IAGOWNOFSA-N
XLogP1.10
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone (CID 124701848) is [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone is O=C([C@H]1CSCN1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is RGTMYPWUHDKVPE-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29N5OS/c25-19(17-14-26-15-21-17)24-7-3-4-16(13-24)12-22-8-10-23(11-9-22)18-5-1-2-6-20-18/h1-2,5-6,16-17,21H,3-4,7-15H2/t16-,17-/m1/s1.
What are the key properties of [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 375.54 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 124701848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).