1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide

C23H23ClF3N5O2 — CID 60521716

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C23H23ClF3N5O2/c1-31-11-8-28-20(31)14-34-18-4-2-17(3-5-18)30-22(33)15-6-9-32(10-7-15)21-19(24)12-16(13-29-21)23(25,26)27/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,30,33)
InChIKeyRVKUBPUBHNJHCT-UHFFFAOYSA-N
MW493.92 g/mol
LogP4.92
Rot. Bonds6

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide (PubChem CID 60521716) has the molecular formula C23H23ClF3N5O2 and a molecular weight of 493.92 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
PubChem CID60521716
Molecular FormulaC23H23ClF3N5O2
Molecular Weight493.92 g/mol
Exact Mass493.15
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C23H23ClF3N5O2/c1-31-11-8-28-20(31)14-34-18-4-2-17(3-5-18)30-22(33)15-6-9-32(10-7-15)21-19(24)12-16(13-29-21)23(25,26)27/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,30,33)
InChIKeyRVKUBPUBHNJHCT-UHFFFAOYSA-N
XLogP4.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide (CID 60521716) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide is Cn1ccnc1COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is RVKUBPUBHNJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O2/c1-31-11-8-28-20(31)14-34-18-4-2-17(3-5-18)30-22(33)15-6-9-32(10-7-15)21-19(24)12-16(13-29-21)23(25,26)27/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3,(H,30,33).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 493.92 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 60521716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).