[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C18H23N3O2 — CID 56813827

IUPAC[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1ccc(CCC2CCN(C(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-16-6-4-14(5-7-16)2-3-15-9-12-21(13-10-15)18(22)17-8-11-19-20-17/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H,19,20)
InChIKeyPXVPSXWVJSHKCH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 56813827) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID56813827
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1ccc(CCC2CCN(C(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-16-6-4-14(5-7-16)2-3-15-9-12-21(13-10-15)18(22)17-8-11-19-20-17/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H,19,20)
InChIKeyPXVPSXWVJSHKCH-UHFFFAOYSA-N
XLogP2.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 56813827) is [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is COc1ccc(CCC2CCN(C(=O)c3ccn[nH]3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is PXVPSXWVJSHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-16-6-4-14(5-7-16)2-3-15-9-12-21(13-10-15)18(22)17-8-11-19-20-17/h4-8,11,15H,2-3,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 56813827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).