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

C17H25N5O2 — CID 124570245

IUPAC(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1c(C)noc1C
InChIInChI=1S/C17H25N5O2/c1-4-13(15-11(2)21-24-12(15)3)20-17(23)22-10-6-5-7-14(22)16-18-8-9-19-16/h8-9,13-14H,4-7,10H2,1-3H3,(H,18,19)(H,20,23)/t13-,14-/m1/s1
InChIKeyCQGQTEDVUBQKPA-ZIAGYGMSSA-N
MW331.42 g/mol
LogP3.40
Rot. Bonds4

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

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 124570245) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID124570245
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1c(C)noc1C
InChIInChI=1S/C17H25N5O2/c1-4-13(15-11(2)21-24-12(15)3)20-17(23)22-10-6-5-7-14(22)16-18-8-9-19-16/h8-9,13-14H,4-7,10H2,1-3H3,(H,18,19)(H,20,23)/t13-,14-/m1/s1
InChIKeyCQGQTEDVUBQKPA-ZIAGYGMSSA-N
XLogP3.40
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
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CID 124608585
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
(2S)-2-[(2R)-2-ethylmorpholin-4-yl]-1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 124848664
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141643
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 95968956
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 124570245) is (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is CC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1c(C)noc1C.
What is the InChIKey of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is CQGQTEDVUBQKPA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-13(15-11(2)21-24-12(15)3)20-17(23)22-10-6-5-7-14(22)16-18-8-9-19-16/h8-9,13-14H,4-7,10H2,1-3H3,(H,18,19)(H,20,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124570245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).