(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone

C18H27N3O — CID 71003583

IUPAC(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)C2=CC3C=CC=CC3N2C)CC1
InChIInChI=1S/C18H27N3O/c1-13(2)19-15-8-10-21(11-9-15)18(22)17-12-14-6-4-5-7-16(14)20(17)3/h4-7,12-16,19H,8-11H2,1-3H3
InChIKeyHPXGRXAVLOTDGT-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.92
Rot. Bonds3

About (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone

(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone (PubChem CID 71003583) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
PubChem CID71003583
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)C2=CC3C=CC=CC3N2C)CC1
InChIInChI=1S/C18H27N3O/c1-13(2)19-15-8-10-21(11-9-15)18(22)17-12-14-6-4-5-7-16(14)20(17)3/h4-7,12-16,19H,8-11H2,1-3H3
InChIKeyHPXGRXAVLOTDGT-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone (CID 71003583) is (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone is CC(C)NC1CCN(C(=O)C2=CC3C=CC=CC3N2C)CC1.
What is the InChIKey of (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is HPXGRXAVLOTDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(2)19-15-8-10-21(11-9-15)18(22)17-12-14-6-4-5-7-16(14)20(17)3/h4-7,12-16,19H,8-11H2,1-3H3.
What are the key properties of (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
(1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71003583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).