N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide

C25H29ClF3N3O — CID 24884480

IUPACN-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
SMILESCC1CCN(C2CCN(c3cc(C(=O)Nc4cccc(Cl)c4)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H29ClF3N3O/c1-17-5-9-31(10-6-17)22-7-11-32(12-8-22)23-14-18(13-19(15-23)25(27,28)29)24(33)30-21-4-2-3-20(26)16-21/h2-4,13-17,22H,5-12H2,1H3,(H,30,33)
InChIKeyRDLZVPJASZBOHT-UHFFFAOYSA-N
MW479.97 g/mol
LogP6.31
Rot. Bonds4

About N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide

N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 24884480) has the molecular formula C25H29ClF3N3O and a molecular weight of 479.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
PubChem CID24884480
Molecular FormulaC25H29ClF3N3O
Molecular Weight479.97 g/mol
Exact Mass479.20
IUPAC NameN-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
SMILESCC1CCN(C2CCN(c3cc(C(=O)Nc4cccc(Cl)c4)cc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C25H29ClF3N3O/c1-17-5-9-31(10-6-17)22-7-11-32(12-8-22)23-14-18(13-19(15-23)25(27,28)29)24(33)30-21-4-2-3-20(26)16-21/h2-4,13-17,22H,5-12H2,1H3,(H,30,33)
InChIKeyRDLZVPJASZBOHT-UHFFFAOYSA-N
XLogP6.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide (CID 24884480) is N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide is CC1CCN(C2CCN(c3cc(C(=O)Nc4cccc(Cl)c4)cc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is RDLZVPJASZBOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N3O/c1-17-5-9-31(10-6-17)22-7-11-32(12-8-22)23-14-18(13-19(15-23)25(27,28)29)24(33)30-21-4-2-3-20(26)16-21/h2-4,13-17,22H,5-12H2,1H3,(H,30,33).
What are the key properties of N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide?
N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 479.97 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 24884480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).