[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C22H28N4O3 — CID 110619029

IUPAC[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)nn2C)cc1
InChIInChI=1S/C22H28N4O3/c1-16-3-5-17(6-4-16)20-15-19(23-24(20)2)22(28)25-9-7-18(8-10-25)21(27)26-11-13-29-14-12-26/h3-6,15,18H,7-14H2,1-2H3
InChIKeyNWFBNHQFHLEABV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.11
Rot. Bonds3

About [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 110619029) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID110619029
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)nn2C)cc1
InChIInChI=1S/C22H28N4O3/c1-16-3-5-17(6-4-16)20-15-19(23-24(20)2)22(28)25-9-7-18(8-10-25)21(27)26-11-13-29-14-12-26/h3-6,15,18H,7-14H2,1-2H3
InChIKeyNWFBNHQFHLEABV-UHFFFAOYSA-N
XLogP2.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110305923
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 38489921
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110421450
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417

Frequently Asked Questions

What is the IUPAC name of [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 110619029) is [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)nn2C)cc1.
What is the InChIKey of [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NWFBNHQFHLEABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-3-5-17(6-4-16)20-15-19(23-24(20)2)22(28)25-9-7-18(8-10-25)21(27)26-11-13-29-14-12-26/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110619029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).