cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

C22H29N3O2 — CID 110197664

IUPACcyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(C)C31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-24-11-8-17-18-14-16(27-2)6-7-19(18)23-20(17)22(24)9-12-25(13-10-22)21(26)15-4-3-5-15/h6-7,14-15,23H,3-5,8-13H2,1-2H3
InChIKeyHCQYIGPYBWIQQW-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.28
Rot. Bonds2

About cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (PubChem CID 110197664) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
PubChem CID110197664
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namecyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(C)C31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-24-11-8-17-18-14-16(27-2)6-7-19(18)23-20(17)22(24)9-12-25(13-10-22)21(26)15-4-3-5-15/h6-7,14-15,23H,3-5,8-13H2,1-2H3
InChIKeyHCQYIGPYBWIQQW-UHFFFAOYSA-N
XLogP3.28
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-acetyl-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl) cyclobutanecarboxylate
CID 70207438
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone
CID 135382465
CID 142475529
CID 142475529
1-[6-methoxy-1'-[(3,4,5-trifluorophenyl)methyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,3'-pyrrolidine]-2-yl]ethanone
CID 126474315
2-[(1S,12bS)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-12b-ethyl-9-methoxy-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 44601820
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
ethane;ethyl 1'-(cyclobutanecarbonyl)-7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1-carboxylate
CID 142475590
(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
CID 134949218
methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
cyclopropyl-[(1S)-1-(4-fluorophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 92734696

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (CID 110197664) is cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is COc1ccc2[nH]c3c(c2c1)CCN(C)C31CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is HCQYIGPYBWIQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24-11-8-17-18-14-16(27-2)6-7-19(18)23-20(17)22(24)9-12-25(13-10-22)21(26)15-4-3-5-15/h6-7,14-15,23H,3-5,8-13H2,1-2H3.
What are the key properties of cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 367.49 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 110197664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).