(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone

C18H23N3O — CID 70783329

IUPAC(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-20-14-16(13-19-20)18(22)21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyFSGQGWBUPIUCTA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 70783329) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID70783329
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCCC2CCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-20-14-16(13-19-20)18(22)21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyFSGQGWBUPIUCTA-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
1-Benzyl-1H-pyrazole-4-carbaldehyde
CID 6484676
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
N-[(4-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168274944
N-(2-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225332
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]carbonyl}piperidine
CID 117859683
US10617680, Example 190
CID 135355186
US10617680, Example 149
CID 135355382

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone (CID 70783329) is (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCCC2CCc2ccccc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is FSGQGWBUPIUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-14-16(13-19-20)18(22)21-12-6-5-9-17(21)11-10-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70783329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).