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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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
(4-(9H-Fluoren-9-yl)piperazin-1-yl)(p-tolyl)methanone
CID 9003925
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
3-[4-(Diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile
CID 741176
1-Benzhydryl-4-(cyclopropylcarbonyl)piperazine
CID 902950
N-(1-phenethyl-4-piperidyl)-N-benzylpropanamide
CID 14129724
N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 168279924
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738

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).