2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C20H28N4O2 — CID 97204454

IUPAC2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(C)c1noc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-15(2)20-22-19(26-23-20)10-11-21-18(25)14-24-12-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyKDNIEPHHLVSRMW-KRWDZBQOSA-N
MW356.47 g/mol
LogP2.73
Rot. Bonds7

About 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 97204454) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID97204454
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(C)c1noc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-15(2)20-22-19(26-23-20)10-11-21-18(25)14-24-12-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyKDNIEPHHLVSRMW-KRWDZBQOSA-N
XLogP2.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97208705
2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99934293
2-hydroxy-2-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 111538352
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97274936
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 97204454) is 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CC(C)c1noc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1.
What is the InChIKey of 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is KDNIEPHHLVSRMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)20-22-19(26-23-20)10-11-21-18(25)14-24-12-6-9-17(13-24)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 97204454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).