N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide

C16H22N6O3 — CID 51106224

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)no1
InChIInChI=1S/C16H22N6O3/c1-11-7-14(20-25-11)19-16(24)22-5-3-12(4-6-22)8-17-15(23)13-9-18-21(2)10-13/h7,9-10,12H,3-6,8H2,1-2H3,(H,17,23)(H,19,20,24)
InChIKeyWNQCLKYMCZUYHR-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.39
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide (PubChem CID 51106224) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
PubChem CID51106224
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)no1
InChIInChI=1S/C16H22N6O3/c1-11-7-14(20-25-11)19-16(24)22-5-3-12(4-6-22)8-17-15(23)13-9-18-21(2)10-13/h7,9-10,12H,3-6,8H2,1-2H3,(H,17,23)(H,19,20,24)
InChIKeyWNQCLKYMCZUYHR-UHFFFAOYSA-N
XLogP1.39
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
N-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119765291
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996
N-[[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 139000175
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 120988415
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119046469
N-[[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 136518035
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide (CID 51106224) is N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is WNQCLKYMCZUYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-7-14(20-25-11)19-16(24)22-5-3-12(4-6-22)8-17-15(23)13-9-18-21(2)10-13/h7,9-10,12H,3-6,8H2,1-2H3,(H,17,23)(H,19,20,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 51106224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).