(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

C17H28N4O2 — CID 118788925

IUPAC(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCc1[nH]ncc1C(=O)N1CCC(C(C)N2CCOCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-16-15(12-18-19-16)17(22)21-6-4-14(5-7-21)13(2)20-8-10-23-11-9-20/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyCKVJKIQDTYQAKH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.54
Rot. Bonds4

About (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 118788925) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID118788925
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCc1[nH]ncc1C(=O)N1CCC(C(C)N2CCOCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-16-15(12-18-19-16)17(22)21-6-4-14(5-7-21)13(2)20-8-10-23-11-9-20/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyCKVJKIQDTYQAKH-UHFFFAOYSA-N
XLogP1.54
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 56904274
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70726176
[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 25287398
(3-aminothiophen-2-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 96578007
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 118788925) is (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is CCc1[nH]ncc1C(=O)N1CCC(C(C)N2CCOCC2)CC1.
What is the InChIKey of (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is CKVJKIQDTYQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-16-15(12-18-19-16)17(22)21-6-4-14(5-7-21)13(2)20-8-10-23-11-9-20/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118788925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).