tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate

C22H28N2O4 — CID 70108316

IUPACtert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCCNC1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(16-9-7-13-23-15-16)24(17-10-5-4-6-11-17)20(25)18-12-8-14-27-18/h4-6,8,10-12,14,16,19,23H,7,9,13,15H2,1-3H3
InChIKeyNOYRHYWYDDAURC-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.64
Rot. Bonds5

About tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate

tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate (PubChem CID 70108316) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate
PubChem CID70108316
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCCNC1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(16-9-7-13-23-15-16)24(17-10-5-4-6-11-17)20(25)18-12-8-14-27-18/h4-6,8,10-12,14,16,19,23H,7,9,13,15H2,1-3H3
InChIKeyNOYRHYWYDDAURC-UHFFFAOYSA-N
XLogP3.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furalaxyl
CID 42504
Benzyl furanyl fentanyl
CID 42853213
Furanylfentanyl
CID 13653606
4-Fluorofuranyl fentanyl
CID 91825762
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
Arylaminoethyl amide deriv. 17
CID 11419952
3-Methylfuranylfentanyl
CID 13653754
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409145
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate?
The IUPAC name of tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate (CID 70108316) is tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate.
What is the SMILES notation for tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate?
The canonical SMILES for tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate is CC(C)(C)OC(=O)C(C1CCCNC1)N(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate?
The InChIKey is NOYRHYWYDDAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)28-21(26)19(16-9-7-13-23-15-16)24(17-10-5-4-6-11-17)20(25)18-12-8-14-27-18/h4-6,8,10-12,14,16,19,23H,7,9,13,15H2,1-3H3.
What are the key properties of tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate?
tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate has a molecular weight of 384.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[N-(furan-2-carbonyl)anilino]-2-piperidin-3-ylacetate is sourced from PubChem (CID 70108316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).