(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide

C21H26FN3O — CID 131897552

IUPAC(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
SMILESCc1cc(F)ccc1N1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1
InChIInChI=1S/C21H26FN3O/c1-15-13-17(22)7-8-20(15)25-11-9-18(10-12-25)24-19(21(23)26)14-16-5-3-2-4-6-16/h2-8,13,18-19,24H,9-12,14H2,1H3,(H2,23,26)/t19-/m0/s1
InChIKeyVXHOGQGLMZSJKU-IBGZPJMESA-N
MW355.46 g/mol
LogP2.79
Rot. Bonds6

About (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide

(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide (PubChem CID 131897552) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
PubChem CID131897552
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
SMILESCc1cc(F)ccc1N1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1
InChIInChI=1S/C21H26FN3O/c1-15-13-17(22)7-8-20(15)25-11-9-18(10-12-25)24-19(21(23)26)14-16-5-3-2-4-6-16/h2-8,13,18-19,24H,9-12,14H2,1H3,(H2,23,26)/t19-/m0/s1
InChIKeyVXHOGQGLMZSJKU-IBGZPJMESA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131906221
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
CID 95322499
1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126452733
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 69463727
N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 148820578
(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
CID 95288076
(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037914
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide (CID 131897552) is (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide is Cc1cc(F)ccc1N1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1.
What is the InChIKey of (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide?
The InChIKey is VXHOGQGLMZSJKU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-13-17(22)7-8-20(15)25-11-9-18(10-12-25)24-19(21(23)26)14-16-5-3-2-4-6-16/h2-8,13,18-19,24H,9-12,14H2,1H3,(H2,23,26)/t19-/m0/s1.
What are the key properties of (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide?
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide is sourced from PubChem (CID 131897552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).