N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide

C19H29FN2O2 — CID 87022050

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(OCC(C)C)CC2)cc1F
InChIInChI=1S/C19H29FN2O2/c1-13(2)12-24-17-7-9-22(10-8-17)15(4)19(23)21-16-6-5-14(3)18(20)11-16/h5-6,11,13,15,17H,7-10,12H2,1-4H3,(H,21,23)
InChIKeyVRTQQWAZWPDLNR-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.60
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide

N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide (PubChem CID 87022050) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
PubChem CID87022050
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(OCC(C)C)CC2)cc1F
InChIInChI=1S/C19H29FN2O2/c1-13(2)12-24-17-7-9-22(10-8-17)15(4)19(23)21-16-6-5-14(3)18(20)11-16/h5-6,11,13,15,17H,7-10,12H2,1-4H3,(H,21,23)
InChIKeyVRTQQWAZWPDLNR-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
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
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
CID 95326426
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide (CID 87022050) is N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCC(OCC(C)C)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide?
The InChIKey is VRTQQWAZWPDLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-13(2)12-24-17-7-9-22(10-8-17)15(4)19(23)21-16-6-5-14(3)18(20)11-16/h5-6,11,13,15,17H,7-10,12H2,1-4H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide has a molecular weight of 336.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 87022050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).