[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone

C21H24N4O2 — CID 166261868

IUPAC[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCC(CN)(c3ccccc3)CC2)c(-c2ccco2)n1
InChIInChI=1S/C21H24N4O2/c1-24-14-17(19(23-24)18-8-5-13-27-18)20(26)25-11-9-21(15-22,10-12-25)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15,22H2,1H3
InChIKeyZELRHBGELGSDEP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.81
Rot. Bonds4

About [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone

[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone (PubChem CID 166261868) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone
PubChem CID166261868
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCC(CN)(c3ccccc3)CC2)c(-c2ccco2)n1
InChIInChI=1S/C21H24N4O2/c1-24-14-17(19(23-24)18-8-5-13-27-18)20(26)25-11-9-21(15-22,10-12-25)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15,22H2,1H3
InChIKeyZELRHBGELGSDEP-UHFFFAOYSA-N
XLogP2.81
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone?
The IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone (CID 166261868) is [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone is Cn1cc(C(=O)N2CCC(CN)(c3ccccc3)CC2)c(-c2ccco2)n1.
What is the InChIKey of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone?
The InChIKey is ZELRHBGELGSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-14-17(19(23-24)18-8-5-13-27-18)20(26)25-11-9-21(15-22,10-12-25)16-6-3-2-4-7-16/h2-8,13-14H,9-12,15,22H2,1H3.
What are the key properties of [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone?
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-phenylpiperidin-1-yl]-[3-(furan-2-yl)-1-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 166261868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).