N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C32H32F3N3O — CID 44532640

IUPACN-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C32H32F3N3O/c33-32(34,35)27-14-15-30(37-22-27)25-10-12-26(13-11-25)31(39)36-18-3-4-19-38-20-16-24(17-21-38)29-9-5-7-23-6-1-2-8-28(23)29/h1-2,5-15,22,24H,3-4,16-21H2,(H,36,39)
InChIKeyMEYQORZXHPBXIZ-UHFFFAOYSA-N
MW531.62 g/mol
LogP7.31
Rot. Bonds8

About N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide

N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 44532640) has the molecular formula C32H32F3N3O and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID44532640
Molecular FormulaC32H32F3N3O
Molecular Weight531.62 g/mol
Exact Mass531.25
IUPAC NameN-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C32H32F3N3O/c33-32(34,35)27-14-15-30(37-22-27)25-10-12-26(13-11-25)31(39)36-18-3-4-19-38-20-16-24(17-21-38)29-9-5-7-23-6-1-2-8-28(23)29/h1-2,5-15,22,24H,3-4,16-21H2,(H,36,39)
InChIKeyMEYQORZXHPBXIZ-UHFFFAOYSA-N
XLogP7.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 44532640) is N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is MEYQORZXHPBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O/c33-32(34,35)27-14-15-30(37-22-27)25-10-12-26(13-11-25)31(39)36-18-3-4-19-38-20-16-24(17-21-38)29-9-5-7-23-6-1-2-8-28(23)29/h1-2,5-15,22,24H,3-4,16-21H2,(H,36,39).
What are the key properties of N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 531.62 g/mol, XLogP of 7.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 44532640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).