9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C27H27N3O — CID 57401677

IUPAC9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2ccc(C3CCN(C4CC4)CC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
InChIKeyBMDPGNPXJLGRNG-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.25
Rot. Bonds2

About 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 57401677) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID57401677
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2ccc(C3CCN(C4CC4)CC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
InChIKeyBMDPGNPXJLGRNG-UHFFFAOYSA-N
XLogP5.25
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 57401677) is 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2ccc(C3CCN(C4CC4)CC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is BMDPGNPXJLGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3.
What are the key properties of 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 409.53 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopropylpiperidin-4-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 57401677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).