4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide

C16H22FN3O2 — CID 119489602

IUPAC4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCNC1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN3O2/c1-18-14-3-2-10-20(11-14)15(21)8-9-19-16(22)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyMUOHWMGJBYQPNF-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.16
Rot. Bonds5

About 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide

4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 119489602) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID119489602
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCNC1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN3O2/c1-18-14-3-2-10-20(11-14)15(21)8-9-19-16(22)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyMUOHWMGJBYQPNF-UHFFFAOYSA-N
XLogP1.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
N-[4-[3-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119593706
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492388
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide (CID 119489602) is 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide is CNC1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is MUOHWMGJBYQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-18-14-3-2-10-20(11-14)15(21)8-9-19-16(22)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 307.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 119489602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).