N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C23H28N4O2S — CID 55708548

IUPACN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17-4-2-3-12-27(17)15-19-7-5-18(6-8-19)14-24-21(28)9-10-22-25-26-23(29-22)20-11-13-30-16-20/h5-8,11,13,16-17H,2-4,9-10,12,14-15H2,1H3,(H,24,28)
InChIKeyFBSIPALPJCXYTE-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.42
Rot. Bonds8

About N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55708548) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55708548
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17-4-2-3-12-27(17)15-19-7-5-18(6-8-19)14-24-21(28)9-10-22-25-26-23(29-22)20-11-13-30-16-20/h5-8,11,13,16-17H,2-4,9-10,12,14-15H2,1H3,(H,24,28)
InChIKeyFBSIPALPJCXYTE-UHFFFAOYSA-N
XLogP4.42
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55693142
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42567188
N-[(1R)-1-cyclohexylpropyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 95280188
N-[(5-bromothiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 32822433
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55742327
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55742648
N-[(4-cyclopropylmorpholin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126776239
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55708548) is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC1CCCCN1Cc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cc1.
What is the InChIKey of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is FBSIPALPJCXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17-4-2-3-12-27(17)15-19-7-5-18(6-8-19)14-24-21(28)9-10-22-25-26-23(29-22)20-11-13-30-16-20/h5-8,11,13,16-17H,2-4,9-10,12,14-15H2,1H3,(H,24,28).
What are the key properties of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 424.57 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55708548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).