N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C20H26N4O3 — CID 100702382

IUPACN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n1
InChIInChI=1S/C20H26N4O3/c1-2-7-16-22-19(27-24-16)11-6-10-17(25)21-15-12-13-18(26)23-20(15)14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,26)/t15-,20+/m1/s1
InChIKeyFAZUXLRYRUBGBE-QRWLVFNGSA-N
MW370.45 g/mol
LogP2.48
Rot. Bonds8

About N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 100702382) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID100702382
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n1
InChIInChI=1S/C20H26N4O3/c1-2-7-16-22-19(27-24-16)11-6-10-17(25)21-15-12-13-18(26)23-20(15)14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,26)/t15-,20+/m1/s1
InChIKeyFAZUXLRYRUBGBE-QRWLVFNGSA-N
XLogP2.48
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119458881
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55845816
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130844
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95161267
N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55854386
N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
N'-[2-(1H-indol-3-yl)acetyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822207
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87041751
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 100702382) is N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n1.
What is the InChIKey of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is FAZUXLRYRUBGBE-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-7-16-22-19(27-24-16)11-6-10-17(25)21-15-12-13-18(26)23-20(15)14-8-4-3-5-9-14/h3-5,8-9,15,20H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,26)/t15-,20+/m1/s1.
What are the key properties of N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 100702382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).