N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide

C16H22F2N2O2 — CID 119725624

IUPACN-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCOc1c(F)cc(NC(=O)CC(C)C2CCCNC2)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-19-9-11)6-15(21)20-12-7-13(17)16(22-2)14(18)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyPEGUDAVSKPKYFR-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.94
Rot. Bonds5

About N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide

N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide (PubChem CID 119725624) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
PubChem CID119725624
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCOc1c(F)cc(NC(=O)CC(C)C2CCCNC2)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-19-9-11)6-15(21)20-12-7-13(17)16(22-2)14(18)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyPEGUDAVSKPKYFR-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide 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-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide (CID 119725624) is N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide is COc1c(F)cc(NC(=O)CC(C)C2CCCNC2)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is PEGUDAVSKPKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-19-9-11)6-15(21)20-12-7-13(17)16(22-2)14(18)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide?
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 312.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119725624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).