[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C22H30N4O2 — CID 119071651

IUPAC[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-21(17(2)24-23-16)19-5-7-20(8-6-19)22(27)26-9-3-4-18(15-26)14-25-10-12-28-13-11-25/h5-8,18H,3-4,9-15H2,1-2H3,(H,23,24)
InChIKeyAGFFPJPIXWJABL-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.88
Rot. Bonds4

About [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 119071651) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID119071651
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1n[nH]c(C)c1-c1ccc(C(=O)N2CCCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-21(17(2)24-23-16)19-5-7-20(8-6-19)22(27)26-9-3-4-18(15-26)14-25-10-12-28-13-11-25/h5-8,18H,3-4,9-15H2,1-2H3,(H,23,24)
InChIKeyAGFFPJPIXWJABL-UHFFFAOYSA-N
XLogP2.88
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126803146
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 124594256
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124592867
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 91793315
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 119071651) is [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CCCC(CN3CCOCC3)C2)cc1.
What is the InChIKey of [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is AGFFPJPIXWJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-21(17(2)24-23-16)19-5-7-20(8-6-19)22(27)26-9-3-4-18(15-26)14-25-10-12-28-13-11-25/h5-8,18H,3-4,9-15H2,1-2H3,(H,23,24).
What are the key properties of [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119071651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).