N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide

C23H26N2O — CID 21430607

IUPACN-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCC2=CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C23H26N2O/c26-23(20-7-2-1-3-8-20)24-21-13-16-25(17-14-21)15-12-19-11-10-18-6-4-5-9-22(18)19/h1-9,11,21H,10,12-17H2,(H,24,26)
InChIKeyYBVJCLLORREJPA-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.91
Rot. Bonds5

About N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide

N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 21430607) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID21430607
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCC2=CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C23H26N2O/c26-23(20-7-2-1-3-8-20)24-21-13-16-25(17-14-21)15-12-19-11-10-18-6-4-5-9-22(18)19/h1-9,11,21H,10,12-17H2,(H,24,26)
InChIKeyYBVJCLLORREJPA-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[1-[3-(2-phenylhydrazinyl)butyl]piperidin-4-yl]benzamide
CID 21395239
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide (CID 21430607) is N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCC2=CCc3ccccc32)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is YBVJCLLORREJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(20-7-2-1-3-8-20)24-21-13-16-25(17-14-21)15-12-19-11-10-18-6-4-5-9-22(18)19/h1-9,11,21H,10,12-17H2,(H,24,26).
What are the key properties of N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 346.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 21430607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).