phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone

C19H26N4O2 — CID 95142062

IUPACphenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
SMILESCC(C)c1noc([C@H](C)NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-21-18(25-22-17)14(3)20-16-9-11-23(12-10-16)19(24)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyTVIKEENNRFJLAC-AWEZNQCLSA-N
MW342.44 g/mol
LogP3.15
Rot. Bonds5

About phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone

phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone (PubChem CID 95142062) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
PubChem CID95142062
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Namephenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
SMILESCC(C)c1noc([C@H](C)NC2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-21-18(25-22-17)14(3)20-16-9-11-23(12-10-16)19(24)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyTVIKEENNRFJLAC-AWEZNQCLSA-N
XLogP3.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 86993489
1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 97026793
[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone
CID 50953481
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119065515
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone (CID 95142062) is phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone is CC(C)c1noc([C@H](C)NC2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone?
The InChIKey is TVIKEENNRFJLAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)17-21-18(25-22-17)14(3)20-16-9-11-23(12-10-16)19(24)15-7-5-4-6-8-15/h4-8,13-14,16,20H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone?
phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 95142062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).