N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C25H30F4N4O2 — CID 55958777

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1F
InChIInChI=1S/C25H30F4N4O2/c1-35-22-7-6-17(14-21(22)26)15-32-12-8-19(9-13-32)31-24(34)18-4-3-11-33(16-18)23-20(25(27,28)29)5-2-10-30-23/h2,5-7,10,14,18-19H,3-4,8-9,11-13,15-16H2,1H3,(H,31,34)
InChIKeyIQUSQECTTPFFJD-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.25
Rot. Bonds6

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55958777) has the molecular formula C25H30F4N4O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55958777
Molecular FormulaC25H30F4N4O2
Molecular Weight494.53 g/mol
Exact Mass494.23
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)C3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1F
InChIInChI=1S/C25H30F4N4O2/c1-35-22-7-6-17(14-21(22)26)15-32-12-8-19(9-13-32)31-24(34)18-4-3-11-33(16-18)23-20(25(27,28)29)5-2-10-30-23/h2,5-7,10,14,18-19H,3-4,8-9,11-13,15-16H2,1H3,(H,31,34)
InChIKeyIQUSQECTTPFFJD-UHFFFAOYSA-N
XLogP4.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 39457692
(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
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N'-[2-(2-ethoxyphenoxy)acetyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55712443
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 55909091
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998880
cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 124687769
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55909347

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55958777) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)C3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is IQUSQECTTPFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4N4O2/c1-35-22-7-6-17(14-21(22)26)15-32-12-8-19(9-13-32)31-24(34)18-4-3-11-33(16-18)23-20(25(27,28)29)5-2-10-30-23/h2,5-7,10,14,18-19H,3-4,8-9,11-13,15-16H2,1H3,(H,31,34).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55958777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).