N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide

C19H26N4O3S — CID 52522126

IUPACN-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H26N4O3S/c1-2-4-16(24)20-11-14-5-3-9-23(12-14)18(25)7-6-17-21-19(22-26-17)15-8-10-27-13-15/h8,10,13-14H,2-7,9,11-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyAQRYISJECXJZNL-CQSZACIVSA-N
MW390.51 g/mol
LogP2.89
Rot. Bonds8

About N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide (PubChem CID 52522126) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide
PubChem CID52522126
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H26N4O3S/c1-2-4-16(24)20-11-14-5-3-9-23(12-14)18(25)7-6-17-21-19(22-26-17)15-8-10-27-13-15/h8,10,13-14H,2-7,9,11-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyAQRYISJECXJZNL-CQSZACIVSA-N
XLogP2.89
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110882018
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94024348
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
1-(2-ethylmorpholin-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51077010
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107443
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107442
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354860
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119622767
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60568817
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide (CID 52522126) is N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is AQRYISJECXJZNL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-2-4-16(24)20-11-14-5-3-9-23(12-14)18(25)7-6-17-21-19(22-26-17)15-8-10-27-13-15/h8,10,13-14H,2-7,9,11-12H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 52522126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).