[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

C17H28N4O2 — CID 95299260

IUPAC[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)n1
InChIInChI=1S/C17H28N4O2/c1-12-6-9-20(10-7-12)17(22)15-5-4-8-21(11-15)13(2)16-18-14(3)19-23-16/h12-13,15H,4-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyGNBIEGZOLGINSN-HIFRSBDPSA-N
MW320.44 g/mol
LogP2.41
Rot. Bonds3

About [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 95299260) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID95299260
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)n1
InChIInChI=1S/C17H28N4O2/c1-12-6-9-20(10-7-12)17(22)15-5-4-8-21(11-15)13(2)16-18-14(3)19-23-16/h12-13,15H,4-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyGNBIEGZOLGINSN-HIFRSBDPSA-N
XLogP2.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 98717396
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 94064055
tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
CID 95973700
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
1-(cyclopentanecarbonyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 72884711
1-(cyclobutanecarbonyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 97200457
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
(5S)-3,5-dimethyl-5-[(3R)-1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 129461912
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 95299260) is [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)n1.
What is the InChIKey of [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GNBIEGZOLGINSN-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-6-9-20(10-7-12)17(22)15-5-4-8-21(11-15)13(2)16-18-14(3)19-23-16/h12-13,15H,4-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 95299260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).