(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C18H30N4O2 — CID 97123946

IUPAC(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1C
InChIInChI=1S/C18H30N4O2/c1-3-22-15(2)14-17(19-22)18(23)21-8-5-4-6-16(21)7-9-20-10-12-24-13-11-20/h14,16H,3-13H2,1-2H3/t16-/m0/s1
InChIKeyWQWGREHXSYRAAO-INIZCTEOSA-N
MW334.46 g/mol
LogP1.93
Rot. Bonds5

About (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 97123946) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID97123946
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1C
InChIInChI=1S/C18H30N4O2/c1-3-22-15(2)14-17(19-22)18(23)21-8-5-4-6-16(21)7-9-20-10-12-24-13-11-20/h14,16H,3-13H2,1-2H3/t16-/m0/s1
InChIKeyWQWGREHXSYRAAO-INIZCTEOSA-N
XLogP1.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133757
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133758
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109366377
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
(1-ethyl-5-methylpyrazol-3-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132349

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 97123946) is (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is CCn1nc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WQWGREHXSYRAAO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-22-15(2)14-17(19-22)18(23)21-8-5-4-6-16(21)7-9-20-10-12-24-13-11-20/h14,16H,3-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).