2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C16H25ClN4O2 — CID 91761812

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCCC(CN3CCOCC3)C2)cc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-13-15(17)11-21(18-13)12-16(22)20-4-2-3-14(10-20)9-19-5-7-23-8-6-19/h11,14H,2-10,12H2,1H3
InChIKeyBEHNEOWBKDRWPG-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 91761812) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID91761812
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCCC(CN3CCOCC3)C2)cc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-13-15(17)11-21(18-13)12-16(22)20-4-2-3-14(10-20)9-19-5-7-23-8-6-19/h11,14H,2-10,12H2,1H3
InChIKeyBEHNEOWBKDRWPG-UHFFFAOYSA-N
XLogP1.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 91761812) is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is Cc1nn(CC(=O)N2CCCC(CN3CCOCC3)C2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is BEHNEOWBKDRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-13-15(17)11-21(18-13)12-16(22)20-4-2-3-14(10-20)9-19-5-7-23-8-6-19/h11,14H,2-10,12H2,1H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 340.86 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91761812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).