3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide

C21H21F3N2O — CID 91014863

IUPAC3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide
SMILESNC(=O)C(Cc1ccc(F)c(F)c1)=C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F3N2O/c22-17-4-1-14(2-5-17)13-26-9-7-16(8-10-26)18(21(25)27)11-15-3-6-19(23)20(24)12-15/h1-6,12H,7-11,13H2,(H2,25,27)
InChIKeyYTMNPPFXPVBDBX-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.72
Rot. Bonds5

About 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide

3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide (PubChem CID 91014863) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide
PubChem CID91014863
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide
SMILESNC(=O)C(Cc1ccc(F)c(F)c1)=C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F3N2O/c22-17-4-1-14(2-5-17)13-26-9-7-16(8-10-26)18(21(25)27)11-15-3-6-19(23)20(24)12-15/h1-6,12H,7-11,13H2,(H2,25,27)
InChIKeyYTMNPPFXPVBDBX-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide
CID 68552352
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964
1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one
CID 42366284
2-[4-[(3,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061399
1-[(3,5-difluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733239
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide (CID 91014863) is 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide is NC(=O)C(Cc1ccc(F)c(F)c1)=C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide?
The InChIKey is YTMNPPFXPVBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-17-4-1-14(2-5-17)13-26-9-7-16(8-10-26)18(21(25)27)11-15-3-6-19(23)20(24)12-15/h1-6,12H,7-11,13H2,(H2,25,27).
What are the key properties of 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide?
3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide has a molecular weight of 374.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]propanamide is sourced from PubChem (CID 91014863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).