[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C18H29N3O2 — CID 97277737

IUPAC[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)no1
InChIInChI=1S/C18H29N3O2/c1-13(2)20-10-7-15(8-11-20)18(22)21-9-5-4-6-17(21)16-12-14(3)23-19-16/h12-13,15,17H,4-11H2,1-3H3/t17-/m0/s1
InChIKeyHPDBDYTVBNMKFE-KRWDZBQOSA-N
MW319.45 g/mol
LogP3.16
Rot. Bonds3

About [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 97277737) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID97277737
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)no1
InChIInChI=1S/C18H29N3O2/c1-13(2)20-10-7-15(8-11-20)18(22)21-9-5-4-6-17(21)16-12-14(3)23-19-16/h12-13,15,17H,4-11H2,1-3H3/t17-/m0/s1
InChIKeyHPDBDYTVBNMKFE-KRWDZBQOSA-N
XLogP3.16
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42948503
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 97277737) is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is Cc1cc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is HPDBDYTVBNMKFE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)20-10-7-15(8-11-20)18(22)21-9-5-4-6-17(21)16-12-14(3)23-19-16/h12-13,15,17H,4-11H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 97277737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).