N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C19H24N4O3 — CID 95727068

IUPACN-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O3/c1-20-18(25)19-21-17(22-26-19)13-23-11-5-8-15(12-23)16(24)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeySZOZKQONWBJJIU-HNNXBMFYSA-N
MW356.43 g/mol
LogP1.84
Rot. Bonds7

About N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 95727068) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID95727068
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O3/c1-20-18(25)19-21-17(22-26-19)13-23-11-5-8-15(12-23)16(24)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeySZOZKQONWBJJIU-HNNXBMFYSA-N
XLogP1.84
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56914557
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073
3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
CID 95714413
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(3S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-2-phenylethanone
CID 95728184
N-methyl-5-[[(3R)-3-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95711517
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide
CID 100777408

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 95727068) is N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)no1.
What is the InChIKey of N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SZOZKQONWBJJIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-20-18(25)19-21-17(22-26-19)13-23-11-5-8-15(12-23)16(24)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25)/t15-/m0/s1.
What are the key properties of N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 95727068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).