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

C22H32N4O — CID 92603831

IUPAC2-[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
SMILESCC(C)NC(=O)Cn1cc(CN2C[C@@H]3CCCN3C[C@H]2C)c2ccccc21
InChIInChI=1S/C22H32N4O/c1-16(2)23-22(27)15-26-13-18(20-8-4-5-9-21(20)26)12-25-14-19-7-6-10-24(19)11-17(25)3/h4-5,8-9,13,16-17,19H,6-7,10-12,14-15H2,1-3H3,(H,23,27)/t17-,19+/m1/s1
InChIKeyVDFIJZOCEDMUQB-MJGOQNOKSA-N
MW368.53 g/mol
LogP2.83
Rot. Bonds5

About 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

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 (PubChem CID 92603831) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID92603831
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[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
SMILESCC(C)NC(=O)Cn1cc(CN2C[C@@H]3CCCN3C[C@H]2C)c2ccccc21
InChIInChI=1S/C22H32N4O/c1-16(2)23-22(27)15-26-13-18(20-8-4-5-9-21(20)26)12-25-14-19-7-6-10-24(19)11-17(25)3/h4-5,8-9,13,16-17,19H,6-7,10-12,14-15H2,1-3H3,(H,23,27)/t17-,19+/m1/s1
InChIKeyVDFIJZOCEDMUQB-MJGOQNOKSA-N
XLogP2.83
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
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
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
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
CID 46967123
2-methyl-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 112553685
2-bromo-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 82982960
2-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]acetic acid
CID 105346114
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
(3R,8aR)-2-[(6-methoxy-1-methylindol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792219
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
CID 51504824
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)Cn1cc(CN2C[C@@H]3CCCN3C[C@H]2C)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is VDFIJZOCEDMUQB-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(2)23-22(27)15-26-13-18(20-8-4-5-9-21(20)26)12-25-14-19-7-6-10-24(19)11-17(25)3/h4-5,8-9,13,16-17,19H,6-7,10-12,14-15H2,1-3H3,(H,23,27)/t17-,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 368.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92603831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).