[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C19H25N3O3 — CID 97423391

IUPAC[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@@H]2OC)cc1
InChIInChI=1S/C19H25N3O3/c1-21-10-8-17(20-21)19(23)22-11-9-18(25-3)15(13-22)12-14-4-6-16(24-2)7-5-14/h4-8,10,15,18H,9,11-13H2,1-3H3/t15-,18-/m0/s1
InChIKeyNYABCNJQLFZIHP-YJBOKZPZSA-N
MW343.43 g/mol
LogP2.15
Rot. Bonds5

About [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97423391) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97423391
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@@H]2OC)cc1
InChIInChI=1S/C19H25N3O3/c1-21-10-8-17(20-21)19(23)22-11-9-18(25-3)15(13-22)12-14-4-6-16(24-2)7-5-14/h4-8,10,15,18H,9,11-13H2,1-3H3/t15-,18-/m0/s1
InChIKeyNYABCNJQLFZIHP-YJBOKZPZSA-N
XLogP2.15
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 97422813
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
[(3S,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97422417
2-[(3S,4S)-4-(4-chlorophenoxy)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110079952
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 97422458
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 97423391) is [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@@H]2OC)cc1.
What is the InChIKey of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is NYABCNJQLFZIHP-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21-10-8-17(20-21)19(23)22-11-9-18(25-3)15(13-22)12-14-4-6-16(24-2)7-5-14/h4-8,10,15,18H,9,11-13H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97423391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).