N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine

C29H34N4O — CID 118581776

IUPACN,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine
SMILESCN(C)c1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(N4CCCCC4)c4ccccc34)O1)N2C
InChIInChI=1S/C29H34N4O/c1-28(2)23-17-20(31(3)4)13-14-24(23)32(5)29(28)19-30-27-22-12-8-7-11-21(22)25(18-26(27)34-29)33-15-9-6-10-16-33/h7-8,11-14,17-19H,6,9-10,15-16H2,1-5H3
InChIKeyOQNAQUQZCLIKJO-UHFFFAOYSA-N
MW454.62 g/mol
LogP6.11
Rot. Bonds2

About N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine

N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine (PubChem CID 118581776) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine.

Molecular Properties

Compound NameN,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine
PubChem CID118581776
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC NameN,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine
SMILESCN(C)c1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(N4CCCCC4)c4ccccc34)O1)N2C
InChIInChI=1S/C29H34N4O/c1-28(2)23-17-20(31(3)4)13-14-24(23)32(5)29(28)19-30-27-22-12-8-7-11-21(22)25(18-26(27)34-29)33-15-9-6-10-16-33/h7-8,11-14,17-19H,6,9-10,15-16H2,1-5H3
InChIKeyOQNAQUQZCLIKJO-UHFFFAOYSA-N
XLogP6.11
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine with MolForge

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Related Compounds

5'-methoxy-1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 14228339
1',3',3'-trimethyl-5'-nitro-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 162189487
1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol
CID 118581794
1',3',3'-trimethyl-8-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 18622933
(3R)-6-(2,3-dihydroindol-1-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-carboxylic acid
CID 139051882
(2S)-5-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 1206759
1',3',3'-trimethyl-5'-(trifluoromethoxy)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 22486103
6-(2,3-dihydroindol-1-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-pyrrolo[2,3-b]pyridine]
CID 14228351
(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 2246263
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847
1,1,3-trimethylspiro[benzo[e]indole-2,3'-benzo[f][1,4]benzoxazine]
CID 23238742
8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 4676098

Frequently Asked Questions

What is the IUPAC name of N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine?
The IUPAC name of N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine (CID 118581776) is N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine.
What is the SMILES notation for N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine?
The canonical SMILES for N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine is CN(C)c1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(N4CCCCC4)c4ccccc34)O1)N2C.
What is the InChIKey of N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine?
The InChIKey is OQNAQUQZCLIKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-28(2)23-17-20(31(3)4)13-14-24(23)32(5)29(28)19-30-27-22-12-8-7-11-21(22)25(18-26(27)34-29)33-15-9-6-10-16-33/h7-8,11-14,17-19H,6,9-10,15-16H2,1-5H3.
What are the key properties of N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine?
N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine has a molecular weight of 454.62 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1',3',3'-pentamethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-amine is sourced from PubChem (CID 118581776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).