N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide

C20H26F2N2O2 — CID 45235405

IUPACN-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1)NC1CC1
InChIInChI=1S/C20H26F2N2O2/c21-17-8-3-14(12-18(17)22)5-10-20(26)24-11-1-2-15(13-24)4-9-19(25)23-16-6-7-16/h3,8,12,15-16H,1-2,4-7,9-11,13H2,(H,23,25)
InChIKeyMTVXEZDMKSQEQM-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.19
Rot. Bonds7

About N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide (PubChem CID 45235405) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide
PubChem CID45235405
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1)NC1CC1
InChIInChI=1S/C20H26F2N2O2/c21-17-8-3-14(12-18(17)22)5-10-20(26)24-11-1-2-15(13-24)4-9-19(25)23-16-6-7-16/h3,8,12,15-16H,1-2,4-7,9-11,13H2,(H,23,25)
InChIKeyMTVXEZDMKSQEQM-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]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-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide (CID 45235405) is N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide?
The InChIKey is MTVXEZDMKSQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-17-8-3-14(12-18(17)22)5-10-20(26)24-11-1-2-15(13-24)4-9-19(25)23-16-6-7-16/h3,8,12,15-16H,1-2,4-7,9-11,13H2,(H,23,25).
What are the key properties of N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide?
N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45235405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).