N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

C17H24ClF2N3O2 — CID 119757485

IUPACN-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-10(12-3-5-20-6-4-12)7-17(24)22-16-9-14(19)13(18)8-15(16)21-11(2)23;/h8-10,12,20H,3-7H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyKERGZWHNIBCVFG-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.31
Rot. Bonds5

About N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119757485) has the molecular formula C17H24ClF2N3O2 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119757485
Molecular FormulaC17H24ClF2N3O2
Molecular Weight375.85 g/mol
Exact Mass375.15
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-10(12-3-5-20-6-4-12)7-17(24)22-16-9-14(19)13(18)8-15(16)21-11(2)23;/h8-10,12,20H,3-7H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyKERGZWHNIBCVFG-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119711633
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119757485) is N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is KERGZWHNIBCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2.ClH/c1-10(12-3-5-20-6-4-12)7-17(24)22-16-9-14(19)13(18)8-15(16)21-11(2)23;/h8-10,12,20H,3-7H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119757485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).