(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C18H30N4O2 — CID 72889812

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCCC2CN2CCOCC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-7-22-15(2)17(13-19-22)18(23)21-8-5-4-6-16(21)14-20-9-11-24-12-10-20/h13,16H,3-12,14H2,1-2H3
InChIKeyKGCCFQRUCKTVJL-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.93
Rot. Bonds5

About (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72889812) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID72889812
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCCCC2CN2CCOCC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-7-22-15(2)17(13-19-22)18(23)21-8-5-4-6-16(21)14-20-9-11-24-12-10-20/h13,16H,3-12,14H2,1-2H3
InChIKeyKGCCFQRUCKTVJL-UHFFFAOYSA-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

1-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353875
2-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353880
1'-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190633
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190708
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72861313

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 72889812) is (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCCn1ncc(C(=O)N2CCCCC2CN2CCOCC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is KGCCFQRUCKTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-7-22-15(2)17(13-19-22)18(23)21-8-5-4-6-16(21)14-20-9-11-24-12-10-20/h13,16H,3-12,14H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)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 (5-methyl-1-propylpyrazol-4-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72889812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).