2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride

C18H27ClFN3O2 — CID 119798145

IUPAC2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C1CCCNC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-12(13-5-4-8-20-11-13)9-17(23)21-14-6-7-16(19)15(10-14)18(24)22(2)3;/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,23);1H
InChIKeySRFLBUZUIGUKNI-UHFFFAOYSA-N
MW371.88 g/mol
LogP2.91
Rot. Bonds5

About 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride

2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119798145) has the molecular formula C18H27ClFN3O2 and a molecular weight of 371.88 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119798145
Molecular FormulaC18H27ClFN3O2
Molecular Weight371.88 g/mol
Exact Mass371.18
IUPAC Name2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C1CCCNC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-12(13-5-4-8-20-11-13)9-17(23)21-14-6-7-16(19)15(10-14)18(24)22(2)3;/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,23);1H
InChIKeySRFLBUZUIGUKNI-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119712533

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride (CID 119798145) is 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride is CC(CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C1CCCNC1.Cl.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is SRFLBUZUIGUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2.ClH/c1-12(13-5-4-8-20-11-13)9-17(23)21-14-6-7-16(19)15(10-14)18(24)22(2)3;/h6-7,10,12-13,20H,4-5,8-9,11H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride?
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119798145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).