(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide

C16H23FN2O — CID 9444041

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(C)CC2)cc1F
InChIInChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyWVOWFIWDTBBERC-ZDUSSCGKSA-N
MW278.37 g/mol
LogP3.19
Rot. Bonds3

About (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 9444041) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID9444041
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(C)CC2)cc1F
InChIInChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyWVOWFIWDTBBERC-ZDUSSCGKSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
CID 87022050
ethyl N-[1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 52505479
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
CID 95326426
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444040
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 9444041) is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCC(C)CC2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is WVOWFIWDTBBERC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 278.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 9444041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).