(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone

C18H24N2O — CID 114459940

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)c2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-7-10-20(11-8-15)17(21)14-5-4-13-6-9-19-16(13)12-14/h4-5,7,12,19H,6,8-11H2,1-3H3
InChIKeyPGVRSBPLOFLZKY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.47
Rot. Bonds1

About (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone (PubChem CID 114459940) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
PubChem CID114459940
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)c2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C18H24N2O/c1-18(2,3)15-7-10-20(11-8-15)17(21)14-5-4-13-6-9-19-16(13)12-14/h4-5,7,12,19H,6,8-11H2,1-3H3
InChIKeyPGVRSBPLOFLZKY-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone (CID 114459940) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone is CC(C)(C)C1=CCN(C(=O)c2ccc3c(c2)NCC3)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The InChIKey is PGVRSBPLOFLZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)15-7-10-20(11-8-15)17(21)14-5-4-13-6-9-19-16(13)12-14/h4-5,7,12,19H,6,8-11H2,1-3H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone is sourced from PubChem (CID 114459940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).