4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide

C18H26FN3O2 — CID 24714532

IUPAC4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
SMILESCC(C)CNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C18H26FN3O2/c1-12(2)11-21-18(24)16(13-7-9-20-10-8-13)22-17(23)14-3-5-15(19)6-4-14/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQQUJOUSVCZQYDQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.70
Rot. Bonds6

About 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide

4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide (PubChem CID 24714532) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
PubChem CID24714532
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
SMILESCC(C)CNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C18H26FN3O2/c1-12(2)11-21-18(24)16(13-7-9-20-10-8-13)22-17(23)14-3-5-15(19)6-4-14/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQQUJOUSVCZQYDQ-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide
CID 24714771
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
4-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46020427
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197439
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
4-fluoro-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840244
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197437

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide (CID 24714532) is 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide is CC(C)CNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide?
The InChIKey is QQUJOUSVCZQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-12(2)11-21-18(24)16(13-7-9-20-10-8-13)22-17(23)14-3-5-15(19)6-4-14/h3-6,12-13,16,20H,7-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide?
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide is sourced from PubChem (CID 24714532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).