(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H27N3O2 — CID 45285709

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCO)c(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14-13(11-18(4)17-14)15(21)19-9-6-5-7-12(19)8-10-20/h11-12,20H,5-10H2,1-4H3
InChIKeyGAUNQZHZSHFAAY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.09
Rot. Bonds3

About (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 45285709) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID45285709
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCO)c(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14-13(11-18(4)17-14)15(21)19-9-6-5-7-12(19)8-10-20/h11-12,20H,5-10H2,1-4H3
InChIKeyGAUNQZHZSHFAAY-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanone
CID 110024673
(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106993205
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
1-[1-(1,3-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 102801589
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
1-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 102810537
(3-tert-butyl-4-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 59382234
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
[2-(3-bromopropyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802319
(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 102811060

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 45285709) is (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCCC2CCO)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is GAUNQZHZSHFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)14-13(11-18(4)17-14)15(21)19-9-6-5-7-12(19)8-10-20/h11-12,20H,5-10H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 293.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45285709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).