N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide

C21H21F3N2O2 — CID 52999171

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2F)CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H21F3N2O2/c1-21(20(28)25-13-14-6-7-15(22)12-18(14)24)8-10-26(11-9-21)19(27)16-4-2-3-5-17(16)23/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyHNVXVEXXPNQTIV-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.66
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide (PubChem CID 52999171) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
PubChem CID52999171
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2F)CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H21F3N2O2/c1-21(20(28)25-13-14-6-7-15(22)12-18(14)24)8-10-26(11-9-21)19(27)16-4-2-3-5-17(16)23/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyHNVXVEXXPNQTIV-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylbenzoyl)-N-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999168
N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
CID 52999173
N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide
CID 52999174
1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 23600304
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide (CID 52999171) is N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCc2ccc(F)cc2F)CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is HNVXVEXXPNQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-21(20(28)25-13-14-6-7-15(22)12-18(14)24)8-10-26(11-9-21)19(27)16-4-2-3-5-17(16)23/h2-7,12H,8-11,13H2,1H3,(H,25,28).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52999171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).