3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

C23H26FN5O — CID 75528502

IUPAC3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H26FN5O/c1-28(2)20-5-3-4-17(14-20)23(30)25-19-10-12-29(13-11-19)22-15-21(26-27-22)16-6-8-18(24)9-7-16/h3-9,14-15,19H,10-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyQTDNNBNOACMTSG-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.68
Rot. Bonds5

About 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (PubChem CID 75528502) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
PubChem CID75528502
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H26FN5O/c1-28(2)20-5-3-4-17(14-20)23(30)25-19-10-12-29(13-11-19)22-15-21(26-27-22)16-6-8-18(24)9-7-16/h3-9,14-15,19H,10-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyQTDNNBNOACMTSG-UHFFFAOYSA-N
XLogP3.68
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (CID 75528502) is 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is CN(C)c1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The InChIKey is QTDNNBNOACMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-28(2)20-5-3-4-17(14-20)23(30)25-19-10-12-29(13-11-19)22-15-21(26-27-22)16-6-8-18(24)9-7-16/h3-9,14-15,19H,10-13H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide has a molecular weight of 407.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75528502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).