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

C24H28FN5O — CID 91904870

IUPAC3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C24H28FN5O/c1-29(2)21-5-3-4-19(14-21)24(31)26-16-17-10-12-30(13-11-17)23-15-22(27-28-23)18-6-8-20(25)9-7-18/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyOGQYWWKASCWUGP-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.93
Rot. Bonds6

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

3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide (PubChem CID 91904870) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide
PubChem CID91904870
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C24H28FN5O/c1-29(2)21-5-3-4-19(14-21)24(31)26-16-17-10-12-30(13-11-17)23-15-22(27-28-23)18-6-8-20(25)9-7-18/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyOGQYWWKASCWUGP-UHFFFAOYSA-N
XLogP3.93
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.93
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]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide (CID 91904870) is 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NCC2CCN(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]methyl]benzamide?
The InChIKey is OGQYWWKASCWUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-29(2)21-5-3-4-19(14-21)24(31)26-16-17-10-12-30(13-11-17)23-15-22(27-28-23)18-6-8-20(25)9-7-18/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of 3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide?
3-(dimethylamino)-N-[[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 3.93, 6 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]methyl]benzamide is sourced from PubChem (CID 91904870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).