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

C19H32N4O2 — CID 98799431

IUPAC[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H32N4O2/c1-6-13-11-23(17(24)14-7-8-14)10-9-15(13)20-12(2)16-21-18(22-25-16)19(3,4)5/h12-15,20H,6-11H2,1-5H3/t12-,13-,15-/m1/s1
InChIKeyCCVDAKJWBOZTRX-UMVBOHGHSA-N
MW348.49 g/mol
LogP3.05
Rot. Bonds5

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

[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 98799431) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID98799431
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H32N4O2/c1-6-13-11-23(17(24)14-7-8-14)10-9-15(13)20-12(2)16-21-18(22-25-16)19(3,4)5/h12-15,20H,6-11H2,1-5H3/t12-,13-,15-/m1/s1
InChIKeyCCVDAKJWBOZTRX-UMVBOHGHSA-N
XLogP3.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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-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)-3-ethyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124734052
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097593
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71871941
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
CID 124620918

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (CID 98799431) is [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1nc(C(C)(C)C)no1.
What is the InChIKey of [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is CCVDAKJWBOZTRX-UMVBOHGHSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-13-11-23(17(24)14-7-8-14)10-9-15(13)20-12(2)16-21-18(22-25-16)19(3,4)5/h12-15,20H,6-11H2,1-5H3/t12-,13-,15-/m1/s1.
What are the key properties of [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 348.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 98799431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).