N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide

C22H29F2N3OS — CID 45181633

IUPACN-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCC(C)c1csc(CN2CCCC(CCC(=O)NCc3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C22H29F2N3OS/c1-15(2)20-14-29-22(26-20)13-27-9-3-4-16(12-27)6-8-21(28)25-11-17-5-7-18(23)19(24)10-17/h5,7,10,14-16H,3-4,6,8-9,11-13H2,1-2H3,(H,25,28)
InChIKeyDCSUAZBNECOHOS-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.85
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45181633) has the molecular formula C22H29F2N3OS and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45181633
Molecular FormulaC22H29F2N3OS
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCC(C)c1csc(CN2CCCC(CCC(=O)NCc3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C22H29F2N3OS/c1-15(2)20-14-29-22(26-20)13-27-9-3-4-16(12-27)6-8-21(28)25-11-17-5-7-18(23)19(24)10-17/h5,7,10,14-16H,3-4,6,8-9,11-13H2,1-2H3,(H,25,28)
InChIKeyDCSUAZBNECOHOS-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide (CID 45181633) is N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide is CC(C)c1csc(CN2CCCC(CCC(=O)NCc3ccc(F)c(F)c3)C2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is DCSUAZBNECOHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3OS/c1-15(2)20-14-29-22(26-20)13-27-9-3-4-16(12-27)6-8-21(28)25-11-17-5-7-18(23)19(24)10-17/h5,7,10,14-16H,3-4,6,8-9,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide?
N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 421.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45181633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).