(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

C23H33N3O — CID 45234791

IUPAC(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCC(C)n1cc(CN2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1
InChIInChI=1S/C23H33N3O/c1-17(2)26-15-18(13-24-26)14-25-12-6-7-20(16-25)22(27)19-8-10-21(11-9-19)23(3,4)5/h8-11,13,15,17,20H,6-7,12,14,16H2,1-5H3
InChIKeyGOMVIPVQOMUEJJ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.86
Rot. Bonds5

About (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone

(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45234791) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID45234791
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCC(C)n1cc(CN2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1
InChIInChI=1S/C23H33N3O/c1-17(2)26-15-18(13-24-26)14-25-12-6-7-20(16-25)22(27)19-8-10-21(11-9-19)23(3,4)5/h8-11,13,15,17,20H,6-7,12,14,16H2,1-5H3
InChIKeyGOMVIPVQOMUEJJ-UHFFFAOYSA-N
XLogP4.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 25460275
1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 45247436
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45236227
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42595073
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45169937
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine-3-carboxylic acid
CID 122040846

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone (CID 45234791) is (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is CC(C)n1cc(CN2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1.
What is the InChIKey of (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is GOMVIPVQOMUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(2)26-15-18(13-24-26)14-25-12-6-7-20(16-25)22(27)19-8-10-21(11-9-19)23(3,4)5/h8-11,13,15,17,20H,6-7,12,14,16H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone?
(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 367.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45234791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).