(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

C17H25N5O2 — CID 125441252

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C17H25N5O2/c1-13-16(14(2)24-20-13)11-19-17(23)22-8-4-3-5-15(22)6-9-21-10-7-18-12-21/h7,10,12,15H,3-6,8-9,11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyRPHUXQNVPOOOCD-OAHLLOKOSA-N
MW331.42 g/mol
LogP2.64
Rot. Bonds5

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 125441252) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID125441252
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C17H25N5O2/c1-13-16(14(2)24-20-13)11-19-17(23)22-8-4-3-5-15(22)6-9-21-10-7-18-12-21/h7,10,12,15H,3-6,8-9,11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyRPHUXQNVPOOOCD-OAHLLOKOSA-N
XLogP2.64
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 70776727
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126435717
(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95716356
N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 56902565
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 75519025
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (CID 125441252) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCCC[C@@H]1CCn1ccnc1.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is RPHUXQNVPOOOCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-16(14(2)24-20-13)11-19-17(23)22-8-4-3-5-15(22)6-9-21-10-7-18-12-21/h7,10,12,15H,3-6,8-9,11H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125441252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).