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

C23H26ClF3N4O — CID 55687937

IUPAC1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClF3N4O/c24-18-5-7-21(28-15-18)31-12-8-16(9-13-31)22(32)29-19-14-17(23(25,26)27)4-6-20(19)30-10-2-1-3-11-30/h4-7,14-16H,1-3,8-13H2,(H,29,32)
InChIKeyPKBZJJOWNNJNAV-UHFFFAOYSA-N
MW466.94 g/mol
LogP5.60
Rot. Bonds4

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

1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55687937) has the molecular formula C23H26ClF3N4O and a molecular weight of 466.94 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID55687937
Molecular FormulaC23H26ClF3N4O
Molecular Weight466.94 g/mol
Exact Mass466.17
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H26ClF3N4O/c24-18-5-7-21(28-15-18)31-12-8-16(9-13-31)22(32)29-19-14-17(23(25,26)27)4-6-20(19)30-10-2-1-3-11-30/h4-7,14-16H,1-3,8-13H2,(H,29,32)
InChIKeyPKBZJJOWNNJNAV-UHFFFAOYSA-N
XLogP5.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
(1S)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 8849710
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 56582300
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 120639496
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
1-(5-chloro-2-pyridinyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 38956071
(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 39964639

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 55687937) is 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PKBZJJOWNNJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O/c24-18-5-7-21(28-15-18)31-12-8-16(9-13-31)22(32)29-19-14-17(23(25,26)27)4-6-20(19)30-10-2-1-3-11-30/h4-7,14-16H,1-3,8-13H2,(H,29,32).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 466.94 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55687937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).