(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide

C16H24FN3O — CID 30623055

IUPAC(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H24FN3O/c1-4-19-7-9-20(10-8-19)13(3)16(21)18-14-6-5-12(2)15(17)11-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyCWSWDFLYOUKXFZ-CYBMUJFWSA-N
MW293.39 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide

(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 30623055) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID30623055
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H24FN3O/c1-4-19-7-9-20(10-8-19)13(3)16(21)18-14-6-5-12(2)15(17)11-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyCWSWDFLYOUKXFZ-CYBMUJFWSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
ethyl N-[1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 52505479
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
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide (CID 30623055) is (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide is CCN1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1.
What is the InChIKey of (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is CWSWDFLYOUKXFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-4-19-7-9-20(10-8-19)13(3)16(21)18-14-6-5-12(2)15(17)11-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 30623055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).