(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone

C20H25N3O3 — CID 24817693

IUPAC(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C20H25N3O3/c1-14(2)23-13-16(11-21-23)20(25)22-10-6-7-15(12-22)19(24)17-8-4-5-9-18(17)26-3/h4-5,8-9,11,13-15H,6-7,10,12H2,1-3H3
InChIKeyNDGYRZMSOBJHMA-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.21
Rot. Bonds5

About (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone

(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 24817693) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID24817693
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C20H25N3O3/c1-14(2)23-13-16(11-21-23)20(25)22-10-6-7-15(12-22)19(24)17-8-4-5-9-18(17)26-3/h4-5,8-9,11,13-15H,6-7,10,12H2,1-3H3
InChIKeyNDGYRZMSOBJHMA-UHFFFAOYSA-N
XLogP3.21
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 42293000
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
6-[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 25376808
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone (CID 24817693) is (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2cnn(C(C)C)c2)C1.
What is the InChIKey of (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is NDGYRZMSOBJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)23-13-16(11-21-23)20(25)22-10-6-7-15(12-22)19(24)17-8-4-5-9-18(17)26-3/h4-5,8-9,11,13-15H,6-7,10,12H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24817693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).