2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone

C23H32N4O2 — CID 110211306

IUPAC2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@@H]1CN2CCCC2CN1Cc1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H32N4O2/c1-18-13-25-8-4-5-20(25)16-26(18)14-19-15-27(22-7-3-2-6-21(19)22)17-23(28)24-9-11-29-12-10-24/h2-3,6-7,15,18,20H,4-5,8-14,16-17H2,1H3/t18-,20?/m1/s1
InChIKeyKIXRXXWPRLXBLQ-QSVWIEALSA-N
MW396.54 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone

2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 110211306) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID110211306
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@@H]1CN2CCCC2CN1Cc1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H32N4O2/c1-18-13-25-8-4-5-20(25)16-26(18)14-19-15-27(22-7-3-2-6-21(19)22)17-23(28)24-9-11-29-12-10-24/h2-3,6-7,15,18,20H,4-5,8-14,16-17H2,1H3/t18-,20?/m1/s1
InChIKeyKIXRXXWPRLXBLQ-QSVWIEALSA-N
XLogP2.17
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[3-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 92603831
2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46960332
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4067931
N-[(1R,2R)-2-methylcyclohexyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162355
2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 170891339
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone (CID 110211306) is 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone is C[C@@H]1CN2CCCC2CN1Cc1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is KIXRXXWPRLXBLQ-QSVWIEALSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-13-25-8-4-5-20(25)16-26(18)14-19-15-27(22-7-3-2-6-21(19)22)17-23(28)24-9-11-29-12-10-24/h2-3,6-7,15,18,20H,4-5,8-14,16-17H2,1H3/t18-,20?/m1/s1.
What are the key properties of 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 396.54 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110211306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).