N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide

C24H27ClF2N2O2 — CID 45177283

IUPACN-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H27ClF2N2O2/c1-3-23(30)28(2)22(14-17-7-8-20(26)15-21(17)27)16-9-11-29(12-10-16)24(31)18-5-4-6-19(25)13-18/h4-8,13,15-16,22H,3,9-12,14H2,1-2H3
InChIKeyHAZOSIPRTMUROU-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.95
Rot. Bonds6

About N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide

N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide (PubChem CID 45177283) has the molecular formula C24H27ClF2N2O2 and a molecular weight of 448.94 g/mol. Its IUPAC name is N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
PubChem CID45177283
Molecular FormulaC24H27ClF2N2O2
Molecular Weight448.94 g/mol
Exact Mass448.17
IUPAC NameN-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H27ClF2N2O2/c1-3-23(30)28(2)22(14-17-7-8-20(26)15-21(17)27)16-9-11-29(12-10-16)24(31)18-5-4-6-19(25)13-18/h4-8,13,15-16,22H,3,9-12,14H2,1-2H3
InChIKeyHAZOSIPRTMUROU-UHFFFAOYSA-N
XLogP4.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide 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

Amiperone
CID 71101
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
Z944
CID 44540045
Jnj-63533054
CID 2548547
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
Bibx-79
CID 501396
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-methyl-SSR504734
CID 11704260
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide (CID 45177283) is N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide is CCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is HAZOSIPRTMUROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N2O2/c1-3-23(30)28(2)22(14-17-7-8-20(26)15-21(17)27)16-9-11-29(12-10-16)24(31)18-5-4-6-19(25)13-18/h4-8,13,15-16,22H,3,9-12,14H2,1-2H3.
What are the key properties of N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 448.94 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 45177283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).