[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol

C19H28N4O2S — CID 164629593

IUPAC[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2ccc(-c3ccn[nH]3)s2)C1
InChIInChI=1S/C19H28N4O2S/c24-14-16-9-15(10-22-5-7-25-8-6-22)11-23(12-16)13-17-1-2-19(26-17)18-3-4-20-21-18/h1-4,15-16,24H,5-14H2,(H,20,21)/t15-,16-/m0/s1
InChIKeyKEEAABGLUQOPKS-HOTGVXAUSA-N
MW376.53 g/mol
LogP1.90
Rot. Bonds6

About [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol

[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol (PubChem CID 164629593) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol
PubChem CID164629593
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2ccc(-c3ccn[nH]3)s2)C1
InChIInChI=1S/C19H28N4O2S/c24-14-16-9-15(10-22-5-7-25-8-6-22)11-23(12-16)13-17-1-2-19(26-17)18-3-4-20-21-18/h1-4,15-16,24H,5-14H2,(H,20,21)/t15-,16-/m0/s1
InChIKeyKEEAABGLUQOPKS-HOTGVXAUSA-N
XLogP1.90
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol (CID 164629593) is [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol is OC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2ccc(-c3ccn[nH]3)s2)C1.
What is the InChIKey of [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is KEEAABGLUQOPKS-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N4O2S/c24-14-16-9-15(10-22-5-7-25-8-6-22)11-23(12-16)13-17-1-2-19(26-17)18-3-4-20-21-18/h1-4,15-16,24H,5-14H2,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol?
[(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 376.53 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164629593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).