4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride

C17H25ClFN3O2 — CID 120554428

IUPAC4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-12-11-19-10-8-15(12)21-16(22)3-2-9-20-17(23)13-4-6-14(18)7-5-13;/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyNJGUVWZQUGROPI-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.87
Rot. Bonds6

About 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride

4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride (PubChem CID 120554428) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
PubChem CID120554428
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-12-11-19-10-8-15(12)21-16(22)3-2-9-20-17(23)13-4-6-14(18)7-5-13;/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyNJGUVWZQUGROPI-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554264
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 119609996
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
CID 120555666
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride (CID 120554428) is 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride is CC1CNCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride?
The InChIKey is NJGUVWZQUGROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-12-11-19-10-8-15(12)21-16(22)3-2-9-20-17(23)13-4-6-14(18)7-5-13;/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride?
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride is sourced from PubChem (CID 120554428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).