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

C29H38N2O2 — CID 45217413

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1
InChIInChI=1S/C29H38N2O2/c32-29(13-12-23-7-2-1-3-8-23)31(22-28-11-6-18-33-28)21-24-14-16-30(17-15-24)27-19-25-9-4-5-10-26(25)20-27/h1-5,7-10,24,27-28H,6,11-22H2
InChIKeyVAUUHZFZKNGGNC-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.51
Rot. Bonds8

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 45217413) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
PubChem CID45217413
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1
InChIInChI=1S/C29H38N2O2/c32-29(13-12-23-7-2-1-3-8-23)31(22-28-11-6-18-33-28)21-24-14-16-30(17-15-24)27-19-25-9-4-5-10-26(25)20-27/h1-5,7-10,24,27-28H,6,11-22H2
InChIKeyVAUUHZFZKNGGNC-UHFFFAOYSA-N
XLogP4.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42591494
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 25484957
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42245792
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (CID 45217413) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is VAUUHZFZKNGGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c32-29(13-12-23-7-2-1-3-8-23)31(22-28-11-6-18-33-28)21-24-14-16-30(17-15-24)27-19-25-9-4-5-10-26(25)20-27/h1-5,7-10,24,27-28H,6,11-22H2.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 446.64 g/mol, XLogP of 4.51, 8 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-(oxolan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 45217413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).