ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate

C21H29FN2O3 — CID 110297431

IUPACethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccc(F)c(C)c2)C2CC2)CC1
InChIInChI=1S/C21H29FN2O3/c1-3-27-21(26)24-10-8-17(9-11-24)23-20(25)13-18(15-4-5-15)16-6-7-19(22)14(2)12-16/h6-7,12,15,17-18H,3-5,8-11,13H2,1-2H3,(H,23,25)
InChIKeySVTDSVSQBJWIQS-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.75
Rot. Bonds6

About ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate (PubChem CID 110297431) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
PubChem CID110297431
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Nameethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccc(F)c(C)c2)C2CC2)CC1
InChIInChI=1S/C21H29FN2O3/c1-3-27-21(26)24-10-8-17(9-11-24)23-20(25)13-18(15-4-5-15)16-6-7-19(22)14(2)12-16/h6-7,12,15,17-18H,3-5,8-11,13H2,1-2H3,(H,23,25)
InChIKeySVTDSVSQBJWIQS-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
ethyl 4-[[N'-[(4-fluoro-3-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111038534
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 110304874
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-[[3-oxo-3-(2,3,4-trifluoroanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950288
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950255
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate (CID 110297431) is ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC(c2ccc(F)c(C)c2)C2CC2)CC1.
What is the InChIKey of ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The InChIKey is SVTDSVSQBJWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-3-27-21(26)24-10-8-17(9-11-24)23-20(25)13-18(15-4-5-15)16-6-7-19(22)14(2)12-16/h6-7,12,15,17-18H,3-5,8-11,13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate has a molecular weight of 376.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110297431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).