[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

C23H22F2N4O — CID 123415741

IUPAC[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESNC1(Cc2ccc(F)c(F)c2)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C23H22F2N4O/c24-19-4-3-16(14-20(19)25)15-23(26)7-12-29(13-8-23)22(30)18-2-1-9-28-21(18)17-5-10-27-11-6-17/h1-6,9-11,14H,7-8,12-13,15,26H2
InChIKeyBJMWNQDMEHFACD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.60
Rot. Bonds4

About [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (PubChem CID 123415741) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
PubChem CID123415741
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESNC1(Cc2ccc(F)c(F)c2)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C23H22F2N4O/c24-19-4-3-16(14-20(19)25)15-23(26)7-12-29(13-8-23)22(30)18-2-1-9-28-21(18)17-5-10-27-11-6-17/h1-6,9-11,14H,7-8,12-13,15,26H2
InChIKeyBJMWNQDMEHFACD-UHFFFAOYSA-N
XLogP3.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[4-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 71547643
4-[(2,6-difluoro-4-methylphenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167560608
[4-[(3-chloropyrazin-2-yl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385786
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343860
4-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343890
[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 90074999
[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
CID 89491755
4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167602066
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile
CID 155344042
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74240099
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140

Frequently Asked Questions

What is the IUPAC name of [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (CID 123415741) is [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is NC1(Cc2ccc(F)c(F)c2)CCN(C(=O)c2cccnc2-c2ccncc2)CC1.
What is the InChIKey of [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The InChIKey is BJMWNQDMEHFACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c24-19-4-3-16(14-20(19)25)15-23(26)7-12-29(13-8-23)22(30)18-2-1-9-28-21(18)17-5-10-27-11-6-17/h1-6,9-11,14H,7-8,12-13,15,26H2.
What are the key properties of [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone has a molecular weight of 408.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 123415741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).