3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C15H21ClFN3O2 — CID 119461422

IUPAC3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCNC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10(20)19-14-7-12(4-5-13(14)16)15(21)18-9-11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVBNNSVFRDPVVFW-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.94
Rot. Bonds4

About 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119461422) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119461422
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCNC2)ccc1F.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10(20)19-14-7-12(4-5-13(14)16)15(21)18-9-11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVBNNSVFRDPVVFW-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119461422) is 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CC(=O)Nc1cc(C(=O)NCC2CCCNC2)ccc1F.Cl.
What is the InChIKey of 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is VBNNSVFRDPVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-10(20)19-14-7-12(4-5-13(14)16)15(21)18-9-11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119461422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).