1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one

C24H34N2O — CID 67188616

IUPAC1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCNCC1CC1CCC2CCCCC2C1
InChIInChI=1S/C24H34N2O/c27-24-15-20-7-3-4-8-22(20)26(24)23-11-12-25-16-21(23)14-17-9-10-18-5-1-2-6-19(18)13-17/h3-4,7-8,17-19,21,23,25H,1-2,5-6,9-16H2
InChIKeyATIAFCFHGVBLPB-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.55
Rot. Bonds3

About 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one

1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 67188616) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID67188616
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCNCC1CC1CCC2CCCCC2C1
InChIInChI=1S/C24H34N2O/c27-24-15-20-7-3-4-8-22(20)26(24)23-11-12-25-16-21(23)14-17-9-10-18-5-1-2-6-19(18)13-17/h3-4,7-8,17-19,21,23,25H,1-2,5-6,9-16H2
InChIKeyATIAFCFHGVBLPB-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one (CID 67188616) is 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCNCC1CC1CCC2CCCCC2C1.
What is the InChIKey of 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is ATIAFCFHGVBLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c27-24-15-20-7-3-4-8-22(20)26(24)23-11-12-25-16-21(23)14-17-9-10-18-5-1-2-6-19(18)13-17/h3-4,7-8,17-19,21,23,25H,1-2,5-6,9-16H2.
What are the key properties of 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one?
1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 366.55 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 67188616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).