1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one

C16H28N4O2 — CID 124866385

IUPAC1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
SMILESCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2C)n1
InChIInChI=1S/C16H28N4O2/c1-5-7-14-18-16(22-19-14)12(4)17-13-8-9-20(10-11(13)3)15(21)6-2/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-/m1/s1
InChIKeyUHEVMBATJAAUEU-FRRDWIJNSA-N
MW308.43 g/mol
LogP2.32
Rot. Bonds6

About 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one

1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 124866385) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
PubChem CID124866385
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
SMILESCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2C)n1
InChIInChI=1S/C16H28N4O2/c1-5-7-14-18-16(22-19-14)12(4)17-13-8-9-20(10-11(13)3)15(21)6-2/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-/m1/s1
InChIKeyUHEVMBATJAAUEU-FRRDWIJNSA-N
XLogP2.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124734052
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
1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 98785189
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513329
1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
CID 98772851
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
cis-(1R,2S)-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]cycloheptane-1-carboxamide
CID 124864971
(3S)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-ol
CID 94000661
1-[(3R,4R)-4-[(4-bromophenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 97025004

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one (CID 124866385) is 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one is CCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2C)n1.
What is the InChIKey of 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is UHEVMBATJAAUEU-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-7-14-18-16(22-19-14)12(4)17-13-8-9-20(10-11(13)3)15(21)6-2/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one?
1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124866385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).