N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide

C22H30N4O — CID 156599345

IUPACN-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C22H30N4O/c1-24-13-15-11-20-18(17-7-6-8-19(24)21(15)17)12-16(14-25(20)2)23-22(27)26-9-4-3-5-10-26/h6-8,13,16,18,20H,3-5,9-12,14H2,1-2H3,(H,23,27)/t16?,18-,20-/m1/s1
InChIKeyKSDOLKMKKCCNFE-PUGIBVIZSA-N
MW366.51 g/mol
LogP3.09
Rot. Bonds1

About N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide

N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide (PubChem CID 156599345) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide
PubChem CID156599345
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide
SMILESCN1CC(NC(=O)N2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C22H30N4O/c1-24-13-15-11-20-18(17-7-6-8-19(24)21(15)17)12-16(14-25(20)2)23-22(27)26-9-4-3-5-10-26/h6-8,13,16,18,20H,3-5,9-12,14H2,1-2H3,(H,23,27)/t16?,18-,20-/m1/s1
InChIKeyKSDOLKMKKCCNFE-PUGIBVIZSA-N
XLogP3.09
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide (CID 156599345) is N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide is CN1CC(NC(=O)N2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide?
The InChIKey is KSDOLKMKKCCNFE-PUGIBVIZSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-13-15-11-20-18(17-7-6-8-19(24)21(15)17)12-16(14-25(20)2)23-22(27)26-9-4-3-5-10-26/h6-8,13,16,18,20H,3-5,9-12,14H2,1-2H3,(H,23,27)/t16?,18-,20-/m1/s1.
What are the key properties of N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide?
N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]piperidine-1-carboxamide is sourced from PubChem (CID 156599345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).