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

C22H26N4O2S — CID 55866732

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C22H26N4O2S/c1-16-4-2-3-5-17(16)14-26-11-8-19(9-12-26)23-20(27)6-7-21-24-25-22(28-21)18-10-13-29-15-18/h2-5,10,13,15,19H,6-9,11-12,14H2,1H3,(H,23,27)
InChIKeyAYITWPINHXDPIZ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.82
Rot. Bonds7

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

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55866732) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55866732
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C22H26N4O2S/c1-16-4-2-3-5-17(16)14-26-11-8-19(9-12-26)23-20(27)6-7-21-24-25-22(28-21)18-10-13-29-15-18/h2-5,10,13,15,19H,6-9,11-12,14H2,1H3,(H,23,27)
InChIKeyAYITWPINHXDPIZ-UHFFFAOYSA-N
XLogP3.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-ethyl-N-phenyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51076251
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
N-[(1R)-1-cyclohexylpropyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 95280188
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-[(4-cyclopropylmorpholin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 126776239
N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75428625
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31104889
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38009868

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55866732) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccccc1CN1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is AYITWPINHXDPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-4-2-3-5-17(16)14-26-11-8-19(9-12-26)23-20(27)6-7-21-24-25-22(28-21)18-10-13-29-15-18/h2-5,10,13,15,19H,6-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55866732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).