(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one

C21H27N5O3 — CID 97342909

IUPAC(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCc1noc(CCC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C21H27N5O3/c1-16-22-19(29-23-16)9-10-20(27)25-14-12-24(13-15-25)18-8-5-11-26(21(18)28)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3/t18-/m1/s1
InChIKeyKJNFDCPTHDYCOU-GOSISDBHSA-N
MW397.48 g/mol
LogP1.65
Rot. Bonds5

About (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one

(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one (PubChem CID 97342909) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one
PubChem CID97342909
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCc1noc(CCC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C21H27N5O3/c1-16-22-19(29-23-16)9-10-20(27)25-14-12-24(13-15-25)18-8-5-11-26(21(18)28)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3/t18-/m1/s1
InChIKeyKJNFDCPTHDYCOU-GOSISDBHSA-N
XLogP1.65
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
CID 75473662
3-[3-oxo-3-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 97342927
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97214073
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120562652
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 86931722
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110093679
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
3-[4-[3-(2-methylphenyl)butanoyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 86814843

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The IUPAC name of (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one (CID 97342909) is (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The canonical SMILES for (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one is Cc1noc(CCC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1.
What is the InChIKey of (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The InChIKey is KJNFDCPTHDYCOU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-16-22-19(29-23-16)9-10-20(27)25-14-12-24(13-15-25)18-8-5-11-26(21(18)28)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one has a molecular weight of 397.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one is sourced from PubChem (CID 97342909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).