2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone

C15H26N2O — CID 114424404

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC3CCCCC32)C1
InChIInChI=1S/C15H26N2O/c1-11-6-8-16-13(10-11)15(18)17-9-7-12-4-2-3-5-14(12)17/h11-14,16H,2-10H2,1H3
InChIKeyQAROGUKAWVVRQG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone (PubChem CID 114424404) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
PubChem CID114424404
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC3CCCCC32)C1
InChIInChI=1S/C15H26N2O/c1-11-6-8-16-13(10-11)15(18)17-9-7-12-4-2-3-5-14(12)17/h11-14,16H,2-10H2,1H3
InChIKeyQAROGUKAWVVRQG-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone with MolForge

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Related Compounds

Gancidin W
CID 7074739
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
(3R,8aS)-Hexahydro-3-(2-methylpropyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927565
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
Cyclo(Ile-Pro)
CID 13654640
(3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 7074740
Cyclo(D)-Pro-(D)-Leu
CID 927566
Cyclo(L-Pro-L-Ile)
CID 9990707
Cyclo(D)-Pro-(D)-Ile
CID 44566897
Proline scaffold, 9
CID 42618107
Proline scaffold, 29
CID 42618126
Hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-A]pyrazin]-1'-one
CID 86820572

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone (CID 114424404) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone is CC1CCNC(C(=O)N2CCC3CCCCC32)C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone?
The InChIKey is QAROGUKAWVVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-6-8-16-13(10-11)15(18)17-9-7-12-4-2-3-5-14(12)17/h11-14,16H,2-10H2,1H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114424404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).