(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone

C18H20N6O2 — CID 97279213

IUPAC(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCC[C@H](C(=O)c4nccn4C)C3)nc2)n1
InChIInChI=1S/C18H20N6O2/c1-12-21-18(26-22-12)13-5-6-15(20-10-13)24-8-3-4-14(11-24)16(25)17-19-7-9-23(17)2/h5-7,9-10,14H,3-4,8,11H2,1-2H3/t14-/m0/s1
InChIKeyDPCGXWYBCPMJRL-AWEZNQCLSA-N
MW352.40 g/mol
LogP2.27
Rot. Bonds4

About (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone (PubChem CID 97279213) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
PubChem CID97279213
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCC[C@H](C(=O)c4nccn4C)C3)nc2)n1
InChIInChI=1S/C18H20N6O2/c1-12-21-18(26-22-12)13-5-6-15(20-10-13)24-8-3-4-14(11-24)16(25)17-19-7-9-23(17)2/h5-7,9-10,14H,3-4,8,11H2,1-2H3/t14-/m0/s1
InChIKeyDPCGXWYBCPMJRL-AWEZNQCLSA-N
XLogP2.27
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone 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)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
N-[1-(furan-2-yl)ethyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794408
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794401
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56704880
(1-methylimidazol-2-yl)-[(3S)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 97197752
(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
CID 72850551
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone (CID 97279213) is (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone is Cc1noc(-c2ccc(N3CCC[C@H](C(=O)c4nccn4C)C3)nc2)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone?
The InChIKey is DPCGXWYBCPMJRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-21-18(26-22-12)13-5-6-15(20-10-13)24-8-3-4-14(11-24)16(25)17-19-7-9-23(17)2/h5-7,9-10,14H,3-4,8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone is sourced from PubChem (CID 97279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).