(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C20H26N4O2 — CID 156601710

IUPAC(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C20H26N4O2/c1-15-13-17(22-21-15)19(25)24-12-9-20(26,16-7-3-2-4-8-16)18(14-24)23-10-5-6-11-23/h2-4,7-8,13,18,26H,5-6,9-12,14H2,1H3,(H,21,22)
InChIKeyIPTNCOGUXIYMHL-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.92
Rot. Bonds3

About (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 156601710) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID156601710
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C20H26N4O2/c1-15-13-17(22-21-15)19(25)24-12-9-20(26,16-7-3-2-4-8-16)18(14-24)23-10-5-6-11-23/h2-4,7-8,13,18,26H,5-6,9-12,14H2,1H3,(H,21,22)
InChIKeyIPTNCOGUXIYMHL-UHFFFAOYSA-N
XLogP1.92
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 156601710) is (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N3CCCC3)C2)n[nH]1.
What is the InChIKey of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is IPTNCOGUXIYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-13-17(22-21-15)19(25)24-12-9-20(26,16-7-3-2-4-8-16)18(14-24)23-10-5-6-11-23/h2-4,7-8,13,18,26H,5-6,9-12,14H2,1H3,(H,21,22).
What are the key properties of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 156601710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).