[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone

C18H30N4O2 — CID 96513329

IUPAC[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
SMILESC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H30N4O2/c1-11-10-22(16(23)13-6-7-13)9-8-14(11)19-12(2)15-20-17(21-24-15)18(3,4)5/h11-14,19H,6-10H2,1-5H3/t11-,12+,14+/m1/s1
InChIKeyIYIRPNGHLRAYGI-DYEKYZERSA-N
MW334.46 g/mol
LogP2.66
Rot. Bonds4

About [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 96513329) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID96513329
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
SMILESC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H30N4O2/c1-11-10-22(16(23)13-6-7-13)9-8-14(11)19-12(2)15-20-17(21-24-15)18(3,4)5/h11-14,19H,6-10H2,1-5H3/t11-,12+,14+/m1/s1
InChIKeyIYIRPNGHLRAYGI-DYEKYZERSA-N
XLogP2.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
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
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
CID 124620918
1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 98785189
(3S,4S)-1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122004427
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
CID 96513320
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-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
CID 37258781
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
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
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone (CID 96513329) is [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone is C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1nc(C(C)(C)C)no1.
What is the InChIKey of [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is IYIRPNGHLRAYGI-DYEKYZERSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-11-10-22(16(23)13-6-7-13)9-8-14(11)19-12(2)15-20-17(21-24-15)18(3,4)5/h11-14,19H,6-10H2,1-5H3/t11-,12+,14+/m1/s1.
What are the key properties of [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 334.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 96513329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).