N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide

C18H22N2O — CID 23723780

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H22N2O/c1-2-6-18(21)19-16-9-5-10-20(13-16)17-11-14-7-3-4-8-15(14)12-17/h3-4,7-8,16-17H,5,9-13H2,1H3,(H,19,21)
InChIKeyYQNDNHKEHPHOLZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.76
Rot. Bonds2

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide (PubChem CID 23723780) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
PubChem CID23723780
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H22N2O/c1-2-6-18(21)19-16-9-5-10-20(13-16)17-11-14-7-3-4-8-15(14)12-17/h3-4,7-8,16-17H,5,9-13H2,1H3,(H,19,21)
InChIKeyYQNDNHKEHPHOLZ-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide (CID 23723780) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide?
The InChIKey is YQNDNHKEHPHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-18(21)19-16-9-5-10-20(13-16)17-11-14-7-3-4-8-15(14)12-17/h3-4,7-8,16-17H,5,9-13H2,1H3,(H,19,21).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide has a molecular weight of 282.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide is sourced from PubChem (CID 23723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).