tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate

C20H28N2O4 — CID 52819797

IUPACtert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)21-13-14-8-10-22(11-9-14)18(23)17-12-15-6-4-5-7-16(15)25-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyQETNJEZZWPQTGU-KRWDZBQOSA-N
MW360.45 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate (PubChem CID 52819797) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate
PubChem CID52819797
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nametert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)21-13-14-8-10-22(11-9-14)18(23)17-12-15-6-4-5-7-16(15)25-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyQETNJEZZWPQTGU-KRWDZBQOSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate (CID 52819797) is tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1.
What is the InChIKey of tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is QETNJEZZWPQTGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)21-13-14-8-10-22(11-9-14)18(23)17-12-15-6-4-5-7-16(15)25-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 52819797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).