1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C19H25N3O2 — CID 70707041

IUPAC1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CCn3ccc(C)n3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(14-15)24-17-7-10-21(11-8-17)19(23)9-13-22-12-6-16(2)20-22/h3-6,12,14,17H,7-11,13H2,1-2H3
InChIKeyHLLUBZRNMMMMFQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 70707041) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID70707041
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CCn3ccc(C)n3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(14-15)24-17-7-10-21(11-8-17)19(23)9-13-22-12-6-16(2)20-22/h3-6,12,14,17H,7-11,13H2,1-2H3
InChIKeyHLLUBZRNMMMMFQ-UHFFFAOYSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
(3R)-3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 96572175
3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 70711948
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
1-[(4S,5S)-4-(dimethylamino)-5-hydroxyazepan-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110128394
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70767696
N-(3-methoxyphenyl)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 138386527
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 70707041) is 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1cccc(OC2CCN(C(=O)CCn3ccc(C)n3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is HLLUBZRNMMMMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-4-3-5-18(14-15)24-17-7-10-21(11-8-17)19(23)9-13-22-12-6-16(2)20-22/h3-6,12,14,17H,7-11,13H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 70707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).