(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C16H26N4O2 — CID 70715707

IUPAC(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCN2CCOCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-18-13-14(12-17-18)16(21)20-6-3-2-4-15(20)5-7-19-8-10-22-11-9-19/h12-13,15H,2-11H2,1H3
InChIKeyXEVPUTWHBCHEOM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 70715707) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID70715707
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCN2CCOCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-18-13-14(12-17-18)16(21)20-6-3-2-4-15(20)5-7-19-8-10-22-11-9-19/h12-13,15H,2-11H2,1H3
InChIKeyXEVPUTWHBCHEOM-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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

N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
3-{(3R*,4S*)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propan-1-ol
CID 72871399
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
N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 51073398
1-isopropyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 56722291
2-(1-Acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779137
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 70715707) is (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCCC2CCN2CCOCC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is XEVPUTWHBCHEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-13-14(12-17-18)16(21)20-6-3-2-4-15(20)5-7-19-8-10-22-11-9-19/h12-13,15H,2-11H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70715707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).