1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone

C19H26N4O2 — CID 98785189

IUPAC1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](N[C@H](C)c2nc(Cc3ccccc3)no2)[C@H](C)C1
InChIInChI=1S/C19H26N4O2/c1-13-12-23(15(3)24)10-9-17(13)20-14(2)19-21-18(22-25-19)11-16-7-5-4-6-8-16/h4-8,13-14,17,20H,9-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyWJMYRVXHHLMTFR-CPUCHLNUSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds5

About 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone

1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone (PubChem CID 98785189) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
PubChem CID98785189
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](N[C@H](C)c2nc(Cc3ccccc3)no2)[C@H](C)C1
InChIInChI=1S/C19H26N4O2/c1-13-12-23(15(3)24)10-9-17(13)20-14(2)19-21-18(22-25-19)11-16-7-5-4-6-8-16/h4-8,13-14,17,20H,9-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyWJMYRVXHHLMTFR-CPUCHLNUSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone 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

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-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylcyclohexan-1-amine
CID 119139010
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
(2S)-2-[[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-benzyl-N-methylpropanamide
CID 97093430
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
1-[(3S,4S)-4-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024506
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 119344382
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120796390
1-[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 74506963

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone (CID 98785189) is 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone is CC(=O)N1CC[C@H](N[C@H](C)c2nc(Cc3ccccc3)no2)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone?
The InChIKey is WJMYRVXHHLMTFR-CPUCHLNUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-12-23(15(3)24)10-9-17(13)20-14(2)19-21-18(22-25-19)11-16-7-5-4-6-8-16/h4-8,13-14,17,20H,9-12H2,1-3H3/t13-,14-,17+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone?
1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-[[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 98785189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).