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

C17H30N4O2 — CID 97026793

IUPAC1-[(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
SMILESCCC(=O)N1CC[C@H](N[C@@H](C)c2nc(C(C)C)no2)[C@H](CC)C1
InChIInChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyGGIWWTWMKLAHQZ-MJBXVCDLSA-N
MW322.45 g/mol
LogP2.88
Rot. Bonds6

About 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

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 (PubChem CID 97026793) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID97026793
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[(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
SMILESCCC(=O)N1CC[C@H](N[C@@H](C)c2nc(C(C)C)no2)[C@H](CC)C1
InChIInChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyGGIWWTWMKLAHQZ-MJBXVCDLSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
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
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71871941
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
(2S)-2-[[(3S,4S)-3-ethyl-1-propanoylpiperidin-4-yl]amino]butanamide
CID 97026816
phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
CID 95142062
[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513329
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133366605

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)N1CC[C@H](N[C@@H](C)c2nc(C(C)C)no2)[C@H](CC)C1.
What is the InChIKey of 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?
The InChIKey is GGIWWTWMKLAHQZ-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3/t12-,13+,14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 322.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97026793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).