tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate

C20H30N2O3 — CID 70109144

IUPACtert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate
SMILESCCC(=O)N(c1ccccc1)[C@@H](C(=O)OC(C)(C)C)C1CCCNC1
InChIInChI=1S/C20H30N2O3/c1-5-17(23)22(16-11-7-6-8-12-16)18(15-10-9-13-21-14-15)19(24)25-20(2,3)4/h6-8,11-12,15,18,21H,5,9-10,13-14H2,1-4H3/t15?,18-/m1/s1
InChIKeyPFCFIMVSODAVFL-KPMSDPLLSA-N
MW346.47 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate

tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate (PubChem CID 70109144) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate
PubChem CID70109144
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate
SMILESCCC(=O)N(c1ccccc1)[C@@H](C(=O)OC(C)(C)C)C1CCCNC1
InChIInChI=1S/C20H30N2O3/c1-5-17(23)22(16-11-7-6-8-12-16)18(15-10-9-13-21-14-15)19(24)25-20(2,3)4/h6-8,11-12,15,18,21H,5,9-10,13-14H2,1-4H3/t15?,18-/m1/s1
InChIKeyPFCFIMVSODAVFL-KPMSDPLLSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(azetidin-3-yl)-2-(N-propanoylanilino)acetate
CID 70109953
tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate
CID 70108316
tert-butyl 2-(N-methylsulfonylanilino)-2-piperidin-3-ylacetate
CID 70119289
N-phenyl-N-(1-phenyl-3-piperidin-3-ylpropan-2-yl)propanamide
CID 70109190
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
CID 141141954
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421
tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
CID 50987936

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate?
The IUPAC name of tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate (CID 70109144) is tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate.
What is the SMILES notation for tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate?
The canonical SMILES for tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate is CCC(=O)N(c1ccccc1)[C@@H](C(=O)OC(C)(C)C)C1CCCNC1.
What is the InChIKey of tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate?
The InChIKey is PFCFIMVSODAVFL-KPMSDPLLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-17(23)22(16-11-7-6-8-12-16)18(15-10-9-13-21-14-15)19(24)25-20(2,3)4/h6-8,11-12,15,18,21H,5,9-10,13-14H2,1-4H3/t15?,18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate?
tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate has a molecular weight of 346.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-piperidin-3-yl-2-(N-propanoylanilino)acetate is sourced from PubChem (CID 70109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).