1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone

C19H27N3O2 — CID 51656410

IUPAC1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1
InChIInChI=1S/C19H27N3O2/c1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)19(23)13-21-7-9-24-10-8-21/h3-4,11,16,18H,5-10,12-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyYZRQMPQBKRVBBJ-WMZOPIPTSA-N
MW329.44 g/mol
LogP1.46
Rot. Bonds2

About 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone

1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone (PubChem CID 51656410) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone
PubChem CID51656410
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1
InChIInChI=1S/C19H27N3O2/c1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)19(23)13-21-7-9-24-10-8-21/h3-4,11,16,18H,5-10,12-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyYZRQMPQBKRVBBJ-WMZOPIPTSA-N
XLogP1.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone (CID 51656410) is 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone is Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1.
What is the InChIKey of 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone?
The InChIKey is YZRQMPQBKRVBBJ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-3-4-17-15(11-14)16-12-20(2)6-5-18(16)22(17)19(23)13-21-7-9-24-10-8-21/h3-4,11,16,18H,5-10,12-13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone?
1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone has a molecular weight of 329.44 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 51656410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).