(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C16H25ClN4O2 — CID 125179954

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C16H25ClN4O2/c1-2-21-15(14(17)11-18-21)16(22)20-6-4-3-5-13(20)12-19-7-9-23-10-8-19/h11,13H,2-10,12H2,1H3/t13-/m1/s1
InChIKeyXUGDOWQTWULRIM-CYBMUJFWSA-N
MW340.86 g/mol
LogP1.88
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125179954) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID125179954
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C16H25ClN4O2/c1-2-21-15(14(17)11-18-21)16(22)20-6-4-3-5-13(20)12-19-7-9-23-10-8-19/h11,13H,2-10,12H2,1H3/t13-/m1/s1
InChIKeyXUGDOWQTWULRIM-CYBMUJFWSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 126783721
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
(4-chloro-1-ethylpyrazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747033
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809674
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
(4-chloro-1-ethylpyrazol-5-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747396
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126776183
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 125179954) is (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is XUGDOWQTWULRIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-2-21-15(14(17)11-18-21)16(22)20-6-4-3-5-13(20)12-19-7-9-23-10-8-19/h11,13H,2-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 340.86 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125179954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).