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

C20H23F2N3O2 — CID 119488520

IUPAC[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C20H23F2N3O2/c1-23-15-5-4-12-25(13-15)19(26)17-6-2-3-7-18(17)24-14-8-10-16(11-9-14)27-20(21)22/h2-3,6-11,15,20,23-24H,4-5,12-13H2,1H3
InChIKeyDWPXFMSRYZRTTI-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.86
Rot. Bonds6

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

[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119488520) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119488520
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C20H23F2N3O2/c1-23-15-5-4-12-25(13-15)19(26)17-6-2-3-7-18(17)24-14-8-10-16(11-9-14)27-20(21)22/h2-3,6-11,15,20,23-24H,4-5,12-13H2,1H3
InChIKeyDWPXFMSRYZRTTI-UHFFFAOYSA-N
XLogP3.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 56532436
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
[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
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
CID 119425043
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119488520) is [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DWPXFMSRYZRTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-23-15-5-4-12-25(13-15)19(26)17-6-2-3-7-18(17)24-14-8-10-16(11-9-14)27-20(21)22/h2-3,6-11,15,20,23-24H,4-5,12-13H2,1H3.
What are the key properties of [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 375.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119488520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).