(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol

C27H28N4O2 — CID 30876748

IUPAC(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1
InChIInChI=1S/C27H28N4O2/c32-26(23-12-7-15-28-18-23)22-13-16-31(17-14-22)19-24-29-27(30-33-24)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,15,18,22,25-26,32H,13-14,16-17,19H2/t26-/m0/s1
InChIKeySDNVSIFOXRTLNZ-SANMLTNESA-N
MW440.55 g/mol
LogP4.59
Rot. Bonds7

About (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol

(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 30876748) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID30876748
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1
InChIInChI=1S/C27H28N4O2/c32-26(23-12-7-15-28-18-23)22-13-16-31(17-14-22)19-24-29-27(30-33-24)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,15,18,22,25-26,32H,13-14,16-17,19H2/t26-/m0/s1
InChIKeySDNVSIFOXRTLNZ-SANMLTNESA-N
XLogP4.59
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol with MolForge

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Related Compounds

(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 30898469
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42120342
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171913113
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-pyridin-3-ylmethanol
CID 146044176
[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171915677
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol (CID 30876748) is (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol is O[C@H](c1cccnc1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1.
What is the InChIKey of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is SDNVSIFOXRTLNZ-SANMLTNESA-N. The full InChI is InChI=1S/C27H28N4O2/c32-26(23-12-7-15-28-18-23)22-13-16-31(17-14-22)19-24-29-27(30-33-24)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,15,18,22,25-26,32H,13-14,16-17,19H2/t26-/m0/s1.
What are the key properties of (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 440.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 30876748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).