N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C27H34N2O2 — CID 25455941

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C27H34N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h1-5,7-10,21,25-26H,6,11-20H2/t26-/m1/s1
InChIKeyDZYSXALNBDLFKZ-AREMUKBSSA-N
MW418.58 g/mol
LogP4.19
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 25455941) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID25455941
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C27H34N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h1-5,7-10,21,25-26H,6,11-20H2/t26-/m1/s1
InChIKeyDZYSXALNBDLFKZ-AREMUKBSSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 25455941) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(c1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is DZYSXALNBDLFKZ-AREMUKBSSA-N. The full InChI is InChI=1S/C27H34N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h1-5,7-10,21,25-26H,6,11-20H2/t26-/m1/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 418.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25455941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).