[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C18H26N2O2 — CID 162638166

IUPAC[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESCOCCN1CCC(C(=O)N2CCc3ccccc3CC2)C1
InChIInChI=1S/C18H26N2O2/c1-22-13-12-19-9-6-17(14-19)18(21)20-10-7-15-4-2-3-5-16(15)8-11-20/h2-5,17H,6-14H2,1H3
InChIKeySSTYGDHDLGAHGP-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.58
Rot. Bonds4

About [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 162638166) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID162638166
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESCOCCN1CCC(C(=O)N2CCc3ccccc3CC2)C1
InChIInChI=1S/C18H26N2O2/c1-22-13-12-19-9-6-17(14-19)18(21)20-10-7-15-4-2-3-5-16(15)8-11-20/h2-5,17H,6-14H2,1H3
InChIKeySSTYGDHDLGAHGP-UHFFFAOYSA-N
XLogP1.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
2-fluoro-N-[[1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]benzamide
CID 131936819
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 74236646
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 74250243
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 124751513
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135112535
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 162638166) is [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is COCCN1CCC(C(=O)N2CCc3ccccc3CC2)C1.
What is the InChIKey of [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is SSTYGDHDLGAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-13-12-19-9-6-17(14-19)18(21)20-10-7-15-4-2-3-5-16(15)8-11-20/h2-5,17H,6-14H2,1H3.
What are the key properties of [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 162638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).