morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone

C26H28N4O3 — CID 47076761

IUPACmorpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H28N4O3/c31-25(29-15-17-33-18-16-29)21-10-13-28(14-11-21)26(32)22-7-4-8-23(19-22)30-24(9-12-27-30)20-5-2-1-3-6-20/h1-9,12,19,21H,10-11,13-18H2
InChIKeyDCDISQNAVAOPDI-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.25
Rot. Bonds4

About morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone

morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone (PubChem CID 47076761) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
PubChem CID47076761
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Namemorpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H28N4O3/c31-25(29-15-17-33-18-16-29)21-10-13-28(14-11-21)26(32)22-7-4-8-23(19-22)30-24(9-12-27-30)20-5-2-1-3-6-20/h1-9,12,19,21H,10-11,13-18H2
InChIKeyDCDISQNAVAOPDI-UHFFFAOYSA-N
XLogP3.25
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119648835
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120806512
[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 166360657
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone (CID 47076761) is morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone is O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is DCDISQNAVAOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-25(29-15-17-33-18-16-29)21-10-13-28(14-11-21)26(32)22-7-4-8-23(19-22)30-24(9-12-27-30)20-5-2-1-3-6-20/h1-9,12,19,21H,10-11,13-18H2.
What are the key properties of morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone?
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 444.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 47076761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).