(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone

C20H28N4O2 — CID 52513480

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
SMILESCC1CCN(C(=O)[C@H](NCc2nc(C(C)C)no2)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)19-22-17(26-23-19)13-21-18(16-7-5-4-6-8-16)20(25)24-11-9-15(3)10-12-24/h4-8,14-15,18,21H,9-13H2,1-3H3/t18-/m1/s1
InChIKeyWEWQYKZCGCKJAT-GOSISDBHSA-N
MW356.47 g/mol
LogP3.28
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone

(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone (PubChem CID 52513480) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
PubChem CID52513480
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
SMILESCC1CCN(C(=O)[C@H](NCc2nc(C(C)C)no2)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)19-22-17(26-23-19)13-21-18(16-7-5-4-6-8-16)20(25)24-11-9-15(3)10-12-24/h4-8,14-15,18,21H,9-13H2,1-3H3/t18-/m1/s1
InChIKeyWEWQYKZCGCKJAT-GOSISDBHSA-N
XLogP3.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62108837
2-phenyl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 175667258
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95583677
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 91927829
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
CID 95142062
N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide
CID 51122331
2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 169284639
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone (CID 52513480) is (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone is CC1CCN(C(=O)[C@H](NCc2nc(C(C)C)no2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone?
The InChIKey is WEWQYKZCGCKJAT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)19-22-17(26-23-19)13-21-18(16-7-5-4-6-8-16)20(25)24-11-9-15(3)10-12-24/h4-8,14-15,18,21H,9-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone?
(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone is sourced from PubChem (CID 52513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).