N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C26H33F3N4O — CID 123757094

IUPACN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C26H33F3N4O/c27-26(28,29)22-8-5-20(6-9-22)21-7-10-24(31-19-21)25(34)30-13-4-14-32-17-11-23(12-18-32)33-15-2-1-3-16-33/h5-10,19,23H,1-4,11-18H2,(H,30,34)
InChIKeySGUHTCVYCCQQRF-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.84
Rot. Bonds7

About N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 123757094) has the molecular formula C26H33F3N4O and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID123757094
Molecular FormulaC26H33F3N4O
Molecular Weight474.57 g/mol
Exact Mass474.26
IUPAC NameN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C26H33F3N4O/c27-26(28,29)22-8-5-20(6-9-22)21-7-10-24(31-19-21)25(34)30-13-4-14-32-17-11-23(12-18-32)33-15-2-1-3-16-33/h5-10,19,23H,1-4,11-18H2,(H,30,34)
InChIKeySGUHTCVYCCQQRF-UHFFFAOYSA-N
XLogP4.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 126581729
4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462328
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
4-(4-nitrophenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577390
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 55229822
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 53108652
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 123757094) is N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(NCCCN1CCC(N2CCCCC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SGUHTCVYCCQQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O/c27-26(28,29)22-8-5-20(6-9-22)21-7-10-24(31-19-21)25(34)30-13-4-14-32-17-11-23(12-18-32)33-15-2-1-3-16-33/h5-10,19,23H,1-4,11-18H2,(H,30,34).
What are the key properties of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 123757094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).