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

C22H26N4O3S — CID 56552120

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c27-19-7-10-26(11-8-19)14-17-3-1-16(2-4-17)13-23-20(28)5-6-21-24-22(25-29-21)18-9-12-30-15-18/h1-4,9,12,15,19,27H,5-8,10-11,13-14H2,(H,23,28)
InChIKeyBNLRJHVDDBQJPM-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.00
Rot. Bonds8

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

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 56552120) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID56552120
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c27-19-7-10-26(11-8-19)14-17-3-1-16(2-4-17)13-23-20(28)5-6-21-24-22(25-29-21)18-9-12-30-15-18/h1-4,9,12,15,19,27H,5-8,10-11,13-14H2,(H,23,28)
InChIKeyBNLRJHVDDBQJPM-UHFFFAOYSA-N
XLogP3.00
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119048312
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118904
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94024348
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 56551816
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
N-[(2,4-dichlorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9082302
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55475322
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193
N-cyclohexyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089346
1-(3-hydroxypiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110882018
N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 56552120) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BNLRJHVDDBQJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-19-7-10-26(11-8-19)14-17-3-1-16(2-4-17)13-23-20(28)5-6-21-24-22(25-29-21)18-9-12-30-15-18/h1-4,9,12,15,19,27H,5-8,10-11,13-14H2,(H,23,28).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 426.54 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 56552120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).