N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

C27H28ClFN2O — CID 134797739

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C27H28ClFN2O/c28-23-11-9-20(10-12-23)13-16-30-27(32)21-14-17-31(18-15-21)19-22-5-1-2-6-24(22)25-7-3-4-8-26(25)29/h1-12,21H,13-19H2,(H,30,32)
InChIKeyZZGLGZXPVRYWTB-UHFFFAOYSA-N
MW450.99 g/mol
LogP5.72
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134797739) has the molecular formula C27H28ClFN2O and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134797739
Molecular FormulaC27H28ClFN2O
Molecular Weight450.99 g/mol
Exact Mass450.19
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C27H28ClFN2O/c28-23-11-9-20(10-12-23)13-16-30-27(32)21-14-17-31(18-15-21)19-22-5-1-2-6-24(22)25-7-3-4-8-26(25)29/h1-12,21H,13-19H2,(H,30,32)
InChIKeyZZGLGZXPVRYWTB-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide 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

N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448660
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
8-[1-(4-Chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11223982
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(4-chlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
CID 11526802
N-((S)-1-(2-(1-((3R,4S)-1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine-4-carbonyl)piperidin-4-yl)-5-chlorophenyl)propyl)acetamide
CID 11555886
4'-Chloro-biphenyl-4-carboxylic acid-[2-(4-piperidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 11743571
(-)-1''-(4-Chloro-3-fluorobenzyl)-3-phenyl-3,4''-bipiperidine-2,6-dione
CID 24774715
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
CID 25221265

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (CID 134797739) is N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZZGLGZXPVRYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O/c28-23-11-9-20(10-12-23)13-16-30-27(32)21-14-17-31(18-15-21)19-22-5-1-2-6-24(22)25-7-3-4-8-26(25)29/h1-12,21H,13-19H2,(H,30,32).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134797739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).