(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

C19H28N4O2 — CID 95352032

IUPAC(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(24)12-23-10-8-16(9-11-23)13-22(2)14-18-20-21-19(25-18)17-6-4-3-5-7-17/h3-7,15-16,24H,8-14H2,1-2H3/t15-/m0/s1
InChIKeyJVXVIMRMQZVSOU-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.26
Rot. Bonds7

About (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95352032) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95352032
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(24)12-23-10-8-16(9-11-23)13-22(2)14-18-20-21-19(25-18)17-6-4-3-5-7-17/h3-7,15-16,24H,8-14H2,1-2H3/t15-/m0/s1
InChIKeyJVXVIMRMQZVSOU-HNNXBMFYSA-N
XLogP2.26
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895121
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86893871
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 98725832
(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95340517
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
3-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344063
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064
1-[4-[[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86895112
1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18094588
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636527

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 95352032) is (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(CN(C)Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is JVXVIMRMQZVSOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)12-23-10-8-16(9-11-23)13-22(2)14-18-20-21-19(25-18)17-6-4-3-5-7-17/h3-7,15-16,24H,8-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95352032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).