N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C23H23F4N5O — CID 55718620

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(F)cc1
InChIInChI=1S/C23H23F4N5O/c1-31-13-11-29-21(31)19(15-6-8-17(24)9-7-15)30-22(33)16-4-3-12-32(14-16)20-18(23(25,26)27)5-2-10-28-20/h2,5-11,13,16,19H,3-4,12,14H2,1H3,(H,30,33)
InChIKeyVMDZCUZMPCUCFS-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55718620) has the molecular formula C23H23F4N5O and a molecular weight of 461.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55718620
Molecular FormulaC23H23F4N5O
Molecular Weight461.46 g/mol
Exact Mass461.18
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(F)cc1
InChIInChI=1S/C23H23F4N5O/c1-31-13-11-29-21(31)19(15-6-8-17(24)9-7-15)30-22(33)16-4-3-12-32(14-16)20-18(23(25,26)27)5-2-10-28-20/h2,5-11,13,16,19H,3-4,12,14H2,1H3,(H,30,33)
InChIKeyVMDZCUZMPCUCFS-UHFFFAOYSA-N
XLogP4.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712374
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55718620) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is Cn1ccnc1C(NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is VMDZCUZMPCUCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O/c1-31-13-11-29-21(31)19(15-6-8-17(24)9-7-15)30-22(33)16-4-3-12-32(14-16)20-18(23(25,26)27)5-2-10-28-20/h2,5-11,13,16,19H,3-4,12,14H2,1H3,(H,30,33).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 461.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55718620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).