(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

C23H33N3O2 — CID 25374648

IUPAC(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCCn1ncc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C
InChIInChI=1S/C23H33N3O2/c1-6-9-26-18(4)21(13-24-26)15-25-10-7-8-19(14-25)22(27)20-11-16(2)23(28-5)17(3)12-20/h11-13,19H,6-10,14-15H2,1-5H3/t19-/m1/s1
InChIKeyKPCYRDLYHYWCRJ-LJQANCHMSA-N
MW383.54 g/mol
LogP4.32
Rot. Bonds7

About (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 25374648) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID25374648
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCCCn1ncc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C
InChIInChI=1S/C23H33N3O2/c1-6-9-26-18(4)21(13-24-26)15-25-10-7-8-19(14-25)22(27)20-11-16(2)23(28-5)17(3)12-20/h11-13,19H,6-10,14-15H2,1-5H3/t19-/m1/s1
InChIKeyKPCYRDLYHYWCRJ-LJQANCHMSA-N
XLogP4.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 42453744
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45245584
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 26399109
2-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 95556565
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
N-[4-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 45207136
4-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 28871487
1-[4-[[(3R)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42286949

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (CID 25374648) is (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is CCCn1ncc(CN2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is KPCYRDLYHYWCRJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-6-9-26-18(4)21(13-24-26)15-25-10-7-8-19(14-25)22(27)20-11-16(2)23(28-5)17(3)12-20/h11-13,19H,6-10,14-15H2,1-5H3/t19-/m1/s1.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 383.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25374648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).