[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C20H21N3O2S — CID 51036532

IUPAC[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(CO)(c2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-14-20(17-4-2-1-3-5-17)6-8-23(9-7-20)19(25)15-10-18(26-13-15)16-11-21-22-12-16/h1-5,10-13,24H,6-9,14H2,(H,21,22)
InChIKeyBBXUXHREFNNJFU-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.30
Rot. Bonds4

About [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 51036532) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID51036532
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(CO)(c2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-14-20(17-4-2-1-3-5-17)6-8-23(9-7-20)19(25)15-10-18(26-13-15)16-11-21-22-12-16/h1-5,10-13,24H,6-9,14H2,(H,21,22)
InChIKeyBBXUXHREFNNJFU-UHFFFAOYSA-N
XLogP3.30
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036130
(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-6-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 156715789
[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 58110357
(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54576245
[(1R,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54575987
(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 155529193
N-[[4-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166404584
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
CID 10128471
[3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54576461
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 51036532) is [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(CO)(c2ccccc2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is BBXUXHREFNNJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-14-20(17-4-2-1-3-5-17)6-8-23(9-7-20)19(25)15-10-18(26-13-15)16-11-21-22-12-16/h1-5,10-13,24H,6-9,14H2,(H,21,22).
What are the key properties of [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 51036532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).