[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C16H26N4O2 — CID 91916235

IUPAC[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-18-12-13(11-17-18)16(21)20-7-3-14(4-8-20)19(2)15-5-9-22-10-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeyXTZBNPUXXGXVEQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds3

About [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 91916235) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID91916235
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-18-12-13(11-17-18)16(21)20-7-3-14(4-8-20)19(2)15-5-9-22-10-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeyXTZBNPUXXGXVEQ-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 63937510
tert-butyl 4-(4-formyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 86810415
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043527
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56880681
(3R*,4R*)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72919069
[3-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-9-(tetrahydro-2H-pyran-4-yl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74239848
N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91916236
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
(1-methyl-1H-pyrazol-4-yl)(4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)methanone
CID 91916389

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 91916235) is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CN(C1CCOCC1)C1CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is XTZBNPUXXGXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-12-13(11-17-18)16(21)20-7-3-14(4-8-20)19(2)15-5-9-22-10-6-15/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 91916235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).