N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide

C27H36N2O — CID 166627285

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCc2ccccc21
InChIInChI=1S/C27H36N2O/c1-3-27(30)29(26-14-13-24-11-7-8-12-25(24)26)20-21(2)28-17-15-23(16-18-28)19-22-9-5-4-6-10-22/h4-12,21,23,26H,3,13-20H2,1-2H3
InChIKeyIFZQHKAYQNFFSA-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.26
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 166627285) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID166627285
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCc2ccccc21
InChIInChI=1S/C27H36N2O/c1-3-27(30)29(26-14-13-24-11-7-8-12-25(24)26)20-21(2)28-17-15-23(16-18-28)19-22-9-5-4-6-10-22/h4-12,21,23,26H,3,13-20H2,1-2H3
InChIKeyIFZQHKAYQNFFSA-UHFFFAOYSA-N
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide (CID 166627285) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide is CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCc2ccccc21.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is IFZQHKAYQNFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-3-27(30)29(26-14-13-24-11-7-8-12-25(24)26)20-21(2)28-17-15-23(16-18-28)19-22-9-5-4-6-10-22/h4-12,21,23,26H,3,13-20H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 404.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 166627285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).