[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone

C21H25F2N3O2 — CID 56532436

IUPAC[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C21H25F2N3O2/c1-25(2)16-6-5-13-26(14-16)20(27)18-7-3-4-8-19(18)24-15-9-11-17(12-10-15)28-21(22)23/h3-4,7-12,16,21,24H,5-6,13-14H2,1-2H3
InChIKeyUXPGQUXVVVPKOH-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.20
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone

[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 56532436) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID56532436
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C21H25F2N3O2/c1-25(2)16-6-5-13-26(14-16)20(27)18-7-3-4-8-19(18)24-15-9-11-17(12-10-15)28-21(22)23/h3-4,7-12,16,21,24H,5-6,13-14H2,1-2H3
InChIKeyUXPGQUXVVVPKOH-UHFFFAOYSA-N
XLogP4.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
[2-[4-(difluoromethoxy)anilino]phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95585620
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
CID 119425043

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone (CID 56532436) is [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is UXPGQUXVVVPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-25(2)16-6-5-13-26(14-16)20(27)18-7-3-4-8-19(18)24-15-9-11-17(12-10-15)28-21(22)23/h3-4,7-12,16,21,24H,5-6,13-14H2,1-2H3.
What are the key properties of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 389.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 56532436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).