N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide

C24H26F2N4O2 — CID 25284655

IUPACN-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O2/c25-19-9-7-17(12-20(19)26)14-27-23(31)10-8-16-4-3-11-30(15-16)24(32)13-22-18-5-1-2-6-21(18)28-29-22/h1-2,5-7,9,12,16H,3-4,8,10-11,13-15H2,(H,27,31)(H,28,29)/t16-/m1/s1
InChIKeyKAFBSXWIRCJVPL-MRXNPFEDSA-N
MW440.49 g/mol
LogP3.72
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 25284655) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID25284655
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C24H26F2N4O2/c25-19-9-7-17(12-20(19)26)14-27-23(31)10-8-16-4-3-11-30(15-16)24(32)13-22-18-5-1-2-6-21(18)28-29-22/h1-2,5-7,9,12,16H,3-4,8,10-11,13-15H2,(H,27,31)(H,28,29)/t16-/m1/s1
InChIKeyKAFBSXWIRCJVPL-MRXNPFEDSA-N
XLogP3.72
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide 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

3-[(3R)-1-[2-(carbamoylamino)acetyl]piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 97268975
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 42095240
3-[(3R)-1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 42475393
methyl 5-[(3R)-3-[3-[(3,4-difluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42240080
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42377501
3-[(3R)-1-(2-chloropyridine-4-carbonyl)piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 42214289
3-[(3R)-1-[2-(3,4-difluorophenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124701583
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 95554785
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42310327
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95551455
1-[3-(bromomethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80661179

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide (CID 25284655) is N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide is O=C(CC[C@H]1CCCN(C(=O)Cc2[nH]nc3ccccc23)C1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is KAFBSXWIRCJVPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-19-9-7-17(12-20(19)26)14-27-23(31)10-8-16-4-3-11-30(15-16)24(32)13-22-18-5-1-2-6-21(18)28-29-22/h1-2,5-7,9,12,16H,3-4,8,10-11,13-15H2,(H,27,31)(H,28,29)/t16-/m1/s1.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide?
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 440.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[2-(2H-indazol-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25284655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).