1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one

C26H30N2O — CID 73350483

IUPAC1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1
InChIInChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24?/m1/s1
InChIKeySZKWDIATUVLAAW-PHSANKKPSA-N
MW386.54 g/mol
LogP5.00
Rot. Bonds2

About 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one

1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 73350483) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one
PubChem CID73350483
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1
InChIInChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24?/m1/s1
InChIKeySZKWDIATUVLAAW-PHSANKKPSA-N
XLogP5.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one (CID 73350483) is 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1.
What is the InChIKey of 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is SZKWDIATUVLAAW-PHSANKKPSA-N. The full InChI is InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2/t19-,24?/m1/s1.
What are the key properties of 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 386.54 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 73350483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).