(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone

C17H27N3O — CID 63130768

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCn3c(C)ccc3C2C)CCCNC1
InChIInChI=1S/C17H27N3O/c1-4-17(8-5-9-18-12-17)16(21)20-11-10-19-13(2)6-7-15(19)14(20)3/h6-7,14,18H,4-5,8-12H2,1-3H3
InChIKeyAEOUKMWVNOUSKY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.48
Rot. Bonds2

About (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone

(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 63130768) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID63130768
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCn3c(C)ccc3C2C)CCCNC1
InChIInChI=1S/C17H27N3O/c1-4-17(8-5-9-18-12-17)16(21)20-11-10-19-13(2)6-7-15(19)14(20)3/h6-7,14,18H,4-5,8-12H2,1-3H3
InChIKeyAEOUKMWVNOUSKY-UHFFFAOYSA-N
XLogP2.48
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone (CID 63130768) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)N2CCn3c(C)ccc3C2C)CCCNC1.
What is the InChIKey of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is AEOUKMWVNOUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-17(8-5-9-18-12-17)16(21)20-11-10-19-13(2)6-7-15(19)14(20)3/h6-7,14,18H,4-5,8-12H2,1-3H3.
What are the key properties of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone?
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 63130768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).