N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H25ClF2N2O — CID 119686367

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-15(18)16(19)9-13;/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22);1H
InChIKeyBSXZLZZNMAEXNU-UHFFFAOYSA-N
MW346.85 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119686367) has the molecular formula C17H25ClF2N2O and a molecular weight of 346.85 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119686367
Molecular FormulaC17H25ClF2N2O
Molecular Weight346.85 g/mol
Exact Mass346.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-15(18)16(19)9-13;/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22);1H
InChIKeyBSXZLZZNMAEXNU-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride 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-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119686367) is N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BSXZLZZNMAEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O.ClH/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-15(18)16(19)9-13;/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 346.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119686367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).