N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C20H26N2O3 — CID 99626862

IUPACN-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NC[C@H]1CCCNC1
InChIInChI=1S/C20H26N2O3/c23-20(22-12-14-4-3-9-21-11-14)13-24-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h7-8,10,14,21H,1-6,9,11-13H2,(H,22,23)/t14-/m0/s1
InChIKeyRLBPBDUOWHQNBC-AWEZNQCLSA-N
MW342.44 g/mol
LogP2.81
Rot. Bonds5

About N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 99626862) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID99626862
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NC[C@H]1CCCNC1
InChIInChI=1S/C20H26N2O3/c23-20(22-12-14-4-3-9-21-11-14)13-24-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h7-8,10,14,21H,1-6,9,11-13H2,(H,22,23)/t14-/m0/s1
InChIKeyRLBPBDUOWHQNBC-AWEZNQCLSA-N
XLogP2.81
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55806512
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
N-[(4-nitrophenyl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 52702278

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 99626862) is N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)NC[C@H]1CCCNC1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is RLBPBDUOWHQNBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-20(22-12-14-4-3-9-21-11-14)13-24-15-7-8-19-17(10-15)16-5-1-2-6-18(16)25-19/h7-8,10,14,21H,1-6,9,11-13H2,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 99626862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).