8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C30H34N4O2 — CID 66834399

IUPAC8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESC[C@@H]1CN(C2CCN(c3ccc4c(c3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)CC2)C[C@H](C)O1
InChIInChI=1S/C30H34N4O2/c1-18-16-34(17-19(2)36-18)21-9-11-33(12-10-21)22-6-8-23-25(14-22)30(3,4)29-27(28(23)35)24-7-5-20(15-31)13-26(24)32-29/h5-8,13-14,18-19,21,32H,9-12,16-17H2,1-4H3/t18-,19+
InChIKeyBZAFIEFQZPDXNQ-KDURUIRLSA-N
MW482.63 g/mol
LogP4.99
Rot. Bonds2

About 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66834399) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66834399
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESC[C@@H]1CN(C2CCN(c3ccc4c(c3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)CC2)C[C@H](C)O1
InChIInChI=1S/C30H34N4O2/c1-18-16-34(17-19(2)36-18)21-9-11-33(12-10-21)22-6-8-23-25(14-22)30(3,4)29-27(28(23)35)24-7-5-20(15-31)13-26(24)32-29/h5-8,13-14,18-19,21,32H,9-12,16-17H2,1-4H3/t18-,19+
InChIKeyBZAFIEFQZPDXNQ-KDURUIRLSA-N
XLogP4.99
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66834399) is 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is C[C@@H]1CN(C2CCN(c3ccc4c(c3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)CC2)C[C@H](C)O1.
What is the InChIKey of 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is BZAFIEFQZPDXNQ-KDURUIRLSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-18-16-34(17-19(2)36-18)21-9-11-33(12-10-21)22-6-8-23-25(14-22)30(3,4)29-27(28(23)35)24-7-5-20(15-31)13-26(24)32-29/h5-8,13-14,18-19,21,32H,9-12,16-17H2,1-4H3/t18-,19+.
What are the key properties of 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 482.63 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66834399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).