[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C20H27N3O2 — CID 70745523

IUPAC[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-2-6-18-17(14-21-22-18)20(25)23-11-9-16(10-12-23)19(24)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,19,24H,2,6,9-13H2,1H3,(H,21,22)
InChIKeyMMOWMPWVKFPRKL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.82
Rot. Bonds6

About [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 70745523) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID70745523
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-2-6-18-17(14-21-22-18)20(25)23-11-9-16(10-12-23)19(24)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,19,24H,2,6,9-13H2,1H3,(H,21,22)
InChIKeyMMOWMPWVKFPRKL-UHFFFAOYSA-N
XLogP2.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 96580621
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 96572285
5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56905261
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 86285901
(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 118788925

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 70745523) is [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCC(C(O)Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is MMOWMPWVKFPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-6-18-17(14-21-22-18)20(25)23-11-9-16(10-12-23)19(24)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,19,24H,2,6,9-13H2,1H3,(H,21,22).
What are the key properties of [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70745523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).